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(3R,4R)-rel-1-Benzyl-4-methylpiperidin-3-amine

(3R,4R)-rel-1-Benzyl-4-methylpiperidin-3-amine - CAS 1251908-67-4

Catalog:	BB006087
Product Name:	(3R,4R)-rel-1-Benzyl-4-methylpiperidin-3-amine
CAS:	1251908-67-4
Synonyms:	4-methyl-1-(phenylmethyl)-3-piperidinamine; 1-benzyl-4-methylpiperidin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	(3R,4R)-1-benzyl-4-methylpiperidin-3-amine
Description:	(3R,4R)-rel-1-Benzyl-4-methylpiperidin-3-amine (CAS# 1251908-67-4 ) is a useful research chemical.
Molecular Weight:	204.32
Molecular Formula:	C13H20N2
Canonical SMILES:	CC1CCN(CC1N)CC2=CC=CC=C2
InChI:	InChI=1S/C13H20N2/c1-11-7-8-15(10-13(11)14)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChI Key:	UMKXOVBYIBQJBM-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2019135808-A1	Substituted pyrrolopyridine jak inhibitors and methods of making and using the same	20171103
BR-112020008850-A2	compound, pharmaceutical composition and method for treating a disease mediated by jak1 and jak3	20171103
CN-111566095-A	Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same	20171103
KR-20200083553-A	Substituted pyrrolopyrimidine JAK inhibitors and methods of making and using the same	20171103
JP-2021502400-A	Substituted pyrolopyrimidine JAK inhibitor and method for making and using it	20171103

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.162648646
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.162648646
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8