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1-Boc-4-(2-pyridyl)piperidine-4-carbonitrile

1-Boc-4-(2-pyridyl)piperidine-4-carbonitrile - CAS 167263-04-9

Catalog:	BB012368
Product Name:	1-Boc-4-(2-pyridyl)piperidine-4-carbonitrile
CAS:	167263-04-9
Synonyms:	4-cyano-4-(2-pyridinyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
Description:	1-Boc-4-(2-pyridyl)piperidine-4-carbonitrile (CAS# 167263-04-9 ) is a useful research chemical.
Molecular Weight:	287.36
Molecular Formula:	C16H21N3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=CC=CC=N2
InChI:	InChI=1S/C16H21N3O2/c1-15(2,3)21-14(20)19-10-7-16(12-17,8-11-19)13-6-4-5-9-18-13/h4-6,9H,7-8,10-11H2,1-3H3
InChI Key:	OUILGYJQVAMETA-UHFFFAOYSA-N
MDL:	MFCD18837009
LogP:	2.81178

Publication Number	Title	Priority Date
WO-2021143680-A1	Heteroaryl derivative, preparation method therefor, and use thereof	20200116
AU-2018236130-A1	Polycyclic amines as opioid receptor modulators	20170312
CA-3055215-A1	Polycyclic amines as opioid receptor modulators	20170312
EP-3595661-A1	Polycyclic amines as opioid receptor modulators	20170312
US-10676456-B2	Polycyclic amines as opioid receptor modulators	20170312

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Complexity:	425
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.16337692
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	287.16337692
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8