N,N-Dimethyl-1-(6-nitro-3-pyridinyl)-4-piperidinamine - CAS 1002317-12-5

Name: N,N-Dimethyl-1-(6-nitro-3-pyridinyl)-4-piperidinamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB067193
Product Name:	N,N-Dimethyl-1-(6-nitro-3-pyridinyl)-4-piperidinamine
CAS:	1002317-12-5
Synonyms:	N,N-dimethyl-1-(6-nitropyridin-3-yl)piperidin-4-amine; N,N-Dimethyl-1-(6-nitro-3-pyridinyl)-4-piperidinamine; N,N-dimethyl-1-(6-nitro-3-pyridyl)piperidin-4-amine

Technical Data

IUPAC Name:	N,N-dimethyl-1-(6-nitropyridin-3-yl)piperidin-4-amine
Description:	N,N-Dimethyl-1-(6-nitro-3-pyridinyl)-4-piperidinamine is used in the synthetic preparation of pyrazolyl-pyrimidines as selective inhibitors of CDK4/CDK6.
Molecular Weight:	250.3
Molecular Formula:	C12H18N4O2
Canonical SMILES:	CN(C)C1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C12H18N4O2/c1-14(2)10-5-7-15(8-6-10)11-3-4-12(13-9-11)16(17)18/h3-4,9-10H,5-8H2,1-2H3
InChI Key:	JZKHCCAPJWNLPF-UHFFFAOYSA-N
References:	Cho, Y., et al. J. Med. Chem., 53, 7938 (2010).

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.14297583
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.14297583
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7