4-Hydroxy-4-phenylpiperidine - CAS 40807-61-2

Catalog:	BB024675
Product Name:	4-Hydroxy-4-phenylpiperidine
CAS:	40807-61-2
Synonyms:	4-phenylpiperidin-4-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-phenylpiperidin-4-ol
Description:	4-Hydroxy-4-phenylpiperidine (CAS# 40807-61-2 ) is a useful research chemical.
Molecular Weight:	177.24
Molecular Formula:	C11H15NO
Canonical SMILES:	C1CNCCC1(C2=CC=CC=C2)O
InChI:	InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChI Key:	KQKFQBTWXOGINC-UHFFFAOYSA-N
Boiling Point:	317.9 °C at 760 mmHg
Melting Point:	157-161 °C(lit.)
Purity:	95 %
Density:	1.093 g/cm³
Appearance:	Off-white solid
MDL:	MFCD00006000
LogP:	1.58640

Publication Number	Title	Priority Date
CN-111423454-A	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
CN-111423454-B	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
CN-113429390-A	Quinazoline derivatives and uses thereof	20200323
JP-2021120703-A	Photosensitive resin composition, cured relief pattern and its manufacturing method	20200130
WO-2021153608-A1	Negative photosensitive resin composition and method for manufacturing cured relief pattern	20200130

PMID	Publication Date	Title	Journal
22452412	20120412	Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein	Journal of medicinal chemistry
21589945	20110501	Exhaustive sampling of docking poses reveals binding hypotheses for propafenone type inhibitors of P-glycoprotein	PLoS computational biology
20329799	20100422	Discovery of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humans	Journal of medicinal chemistry
17328523	20070308	Novel sigma receptor ligands: synthesis and biological profile	Journal of medicinal chemistry
12798336	20030707	4-Amino-2-(aryl)-butylbenzamides and Their conformationally constrained analogues. Potent antagonists of the human neurokinin-2 (NK(2)) receptor	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Piperidines

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3-Bromo-1-methylpiperidine Hydrobromide
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[931998-13-9]
Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylate
[349625-89-4]
Ethyl 1-(methylsulfonyl)piperidine-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.115364102
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	177.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1