1-Benzylpiperidine - CAS 2905-56-8

Catalog:	BB020070
Product Name:	1-Benzylpiperidine
CAS:	2905-56-8
Synonyms:	1-(phenylmethyl)piperidine; 1-benzylpiperidine

Technical Data

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Computed Properties

IUPAC Name:	1-benzylpiperidine
Description:	1-Benzylpiperidine (CAS# 2905-56-8) is a useful research chemical.
Molecular Weight:	175.27
Molecular Formula:	C12H17N
Canonical SMILES:	C1CCN(CC1)CC2=CC=CC=C2
InChI:	InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChI Key:	NZVZVGPYTICZBZ-UHFFFAOYSA-N
Boiling Point:	120-123 °C / 9 mmHg
Density:	0.95 g/cm³
MDL:	MFCD00224901
LogP:	2.61040

Publication Number	Title	Priority Date
WO-2021127543-A1	Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment	20191219
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021123294-A1	Oga inhibitor compounds	20191218
WO-2021123297-A1	Oga inhibitor compounds	20191218
WO-2021125008-A1	Resin composition	20191216

PMID	Publication Date	Title	Journal
23026265	20121115	Estrogenic effects and their action mechanism of the major active components of party pill drugs	Toxicology letters
22734706	20120901	Modeling anti-HIV compounds: the role of analogue-based approaches	Current computer-aided drug design
22594259	20120501	Synthesis of novel N-benzyl substituted piperidine amides of 1H-indole-5-carboxylic acid as potential inhibitors of cholinesterases	Acta poloniae pharmaceutica
22023459	20111222	Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease	Journal of medicinal chemistry
21074294	20110101	Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE)	European journal of medicinal chemistry

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[758720-54-6]
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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:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.136099547
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.136099547
Rotatable Bond Count:	2
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6