cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride - CAS 477600-68-3

Name: cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026390
Product Name:	cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride
CAS:	477600-68-3
Synonyms:	(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine;dihydrochloride; (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride

Technical Data

IUPAC Name:	(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride
Description:	cis-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride (CAS# 477600-68-3) is used as a reagent in the preparation of cis-3-Methylamino-4-methylpiperidines and also in synthesis of piperidine derivatives as immunosuppressant for the treatment of diseases associated with pathologic JAK3 activation.
Molecular Weight:	291.26
Molecular Formula:	C14H24Cl2N2
Canonical SMILES:	CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl
InChI:	InChI=1S/C14H22N2.2ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;;/h3-7,12,14-15H,8-11H2,1-2H3;2*1H/t12-,14+;;/m1../s1
InChI Key:	CVQNXCBXFOIHLH-DAIKJZOUSA-N
LogP:	4.04920

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111848496-A	Preparation method of tofacitinib intermediate amine and double hydrochloride thereof	20200728
CN-111848496-B	Preparation method of tofacitinib intermediate amine and double hydrochloride thereof	20200728
CN-111574522-A	Synthesis method of tofacitinib key intermediate	20200513
CN-110724146-A	Preparation method of tofacitinib citrate	20191104
WO-2021084556-A1	Process for the preparation of tofacitinib and intermediates thereof	20191031

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	290.1316542
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	290.1316542
Rotatable Bond Count:	3
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0