1-Acetyl-3-aminopiperidine - CAS 1018680-22-2

Catalog:	BB000682
Product Name:	1-Acetyl-3-aminopiperidine
CAS:	1018680-22-2
Synonyms:	1-(3-amino-1-piperidinyl)ethanone; 1-(3-aminopiperidin-1-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-aminopiperidin-1-yl)ethanone
Description:	1-Acetyl-3-aminopiperidine (CAS# 1018680-22-2) is a useful research chemical.
Molecular Weight:	142.20
Molecular Formula:	C7H14N2O
Canonical SMILES:	CC(=O)N1CCCC(C1)N
InChI:	InChI=1S/C7H14N2O/c1-6(10)9-4-2-3-7(8)5-9/h7H,2-5,8H2,1H3
InChI Key:	IXINAEREEWKDJW-UHFFFAOYSA-N
Appearance:	White to off-white powder
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD09264572
LogP:	0.59420

Publication Number	Title	Priority Date
KR-20210039666-A	Bicyclic compound and use thereof	20191002
TW-201927757-A	Quinazolinone as a PARP14 inhibitor	20171221
US-10562891-B2	Quinazolinones as PARP14 inhibitors	20171221
US-2019194174-A1	Quinazolinones as parp14 inhibitors	20171221
WO-2019126443-A1	Quinazolinones as parp14 inhibitors	20171221

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.110613074
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.110613074
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7