2-(1-Benzyl-4-piperidyl)acetonitrile - CAS 78056-67-4

Catalog:	BB036107
Product Name:	2-(1-Benzyl-4-piperidyl)acetonitrile
CAS:	78056-67-4
Synonyms:	2-[1-(phenylmethyl)-4-piperidinyl]acetonitrile; 2-(1-benzylpiperidin-4-yl)acetonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(1-benzylpiperidin-4-yl)acetonitrile
Description:	2-(1-Benzyl-4-piperidyl)acetonitrile (CAS# 78056-67-4) is a useful research chemical.
Molecular Weight:	214.31
Molecular Formula:	C14H18N2
Canonical SMILES:	C1CN(CCC1CC#N)CC2=CC=CC=C2
InChI:	InChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2
InChI Key:	ZKOHFVJCKMHYSL-UHFFFAOYSA-N
Boiling Point:	348.9 °C at 760 mmHg
Density:	1.036 g/cm³
MDL:	MFCD00010108
LogP:	2.75018

Publication Number	Title	Priority Date
CA-3022492-A1	Tetrahydropyran and thiopyran derivatives having multimodal activity against pain	20160520
EP-3458450-A1	Tetrahydropyran and thiopyran derivatives having multimodal activity against pain	20160520
EP-3458450-B1	Tetrahydropyran derivatives having multimodal activity against pain	20160520
JP-2019516736-A	Tetrahydropyran and thiopyran derivatives having various activities against pain	20160520
KR-20190009792-A	Tetrahydropyran and thiopyran derivatives with multiple activities against pain	20160520

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.146998583
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.146998583
Rotatable Bond Count:	3
Topological Polar Surface Area:	27 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2