1-[1-(2-Phenylethyl)piperidin-4-yl]methanamine - CAS 127285-09-0

Catalog:	BB006781
Product Name:	1-[1-(2-Phenylethyl)piperidin-4-yl]methanamine
CAS:	127285-09-0
Synonyms:	[1-(2-phenylethyl)piperidin-4-yl]methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	[1-(2-phenylethyl)piperidin-4-yl]methanamine
Description:	1-[1-(2-Phenylethyl)piperidin-4-yl]methanamine (CAS# 127285-09-0) is a useful research chemical.
Molecular Weight:	218.34
Molecular Formula:	C14H22N2
Canonical SMILES:	C1CN(CCC1CN)CCC2=CC=CC=C2
InChI:	InChI=1S/C14H22N2/c15-12-14-7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChI Key:	NPGJAUWAEIPXCP-UHFFFAOYSA-N
Boiling Point:	326.647 °C at 760 mmHg
Density:	0.99 g/cm³
LogP:	2.53800

Publication Number	Title	Priority Date
KR-20200061346-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
CN-111629728-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
JP-2020532541-A	Compounds and methods for regulating adenosine A2B and adenosine A2A receptors	20170831
WO-2017109061-A1	Spirocyclopropylamine derivatives useful as inhibitors of histone demethylases kdm1a	20151223
AU-2007323368-A1	2 -Alkyl- indazole compounds for the treatment of certain CNS-related disorders	20061122

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Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.17829871
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.17829871
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2