2-Phenylpiperidine - CAS 3466-80-6

Catalog:	BB022233
Product Name:	2-Phenylpiperidine
CAS:	3466-80-6
Synonyms:	2-phenylpiperidine; 2-phenylpiperidine

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Computed Properties

IUPAC Name:	2-phenylpiperidine
Description:	2-Phenylpiperidine (CAS# 3466-80-6) is a useful research chemical.
Molecular Weight:	161.24
Molecular Formula:	C11H15N
Canonical SMILES:	C1CCNC(C1)C2=CC=CC=C2
InChI:	InChI=1S/C11H15N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7,11-12H,4-5,8-9H2
InChI Key:	WGIAUTGOUJDVEI-UHFFFAOYSA-N
Boiling Point:	70-72 °C / 0.45 mmHg, 257.3 °C at 760 mmHg
Density:	0.967 g/cm³
MDL:	MFCD00270125
LogP:	2.83000

Publication Number	Title	Priority Date
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
WO-2020206109-A1	Remodilins for airway remodeling and organ fibrosis	20190402
WO-2020206118-A1	Remodilins to prevent or treat cancer metastasis, glaucoma, and hypoxia	20190402
WO-2020115501-A1	Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19)	20181206
WO-2020108500-A1	Histone acetylase p300 inhibitor and use thereof	20181127

PMID	Publication Date	Title	Journal
19827296	20090901	[Regioselectivity in the dehydrogenation of substituted ethylenediamines as nicotine models]	Die Pharmazie
19322871	20090101	The regio- and stereoselective synthesis of trans-2,3-dihydropyridine N-oxides and piperidines	Angewandte Chemie (International ed. in English)
16702114	20060201	Metabolism, pharmacokinetics and excretion of a potent tachykinin NK1 receptor antagonist (CP-122,721) in rat: characterization of a novel oxidative pathway	Xenobiotica; the fate of foreign compounds in biological systems
15624973	20050106	Double reduction of cyclic aromatic sulfonamides: a novel method for the synthesis of 2- and 3-aryl-substituted cyclic amines	Organic letters
15387539	20040930	CpIr complex-catalyzed N-heterocyclization of primary amines with diols: a new catalytic system for environmentally benign synthesis of cyclic amines	Organic letters

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[874800-64-3]
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[313685-03-9]
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[931998-13-9]
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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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.120449483
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.120449483
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2