(3S)-N-Methyl-3-piperidinamine Dihydrochloride - CAS 2059911-77-0

Catalog:	BB060387
Product Name:	(3S)-N-Methyl-3-piperidinamine Dihydrochloride
CAS:	2059911-77-0
Synonyms:	(S)-N-methylpiperidin-3-amine Dihydrochloride

Technical Data

IUPAC Name:	(3S)-N-methylpiperidin-3-aminedihydrochloride
Description:	(3S)-N-Methyl-3-piperidinamine Hydrochloride is the Hydrochloride salt of (3S)-N-Methylpiperidin-3-amine (CAS# 80918-67-8), which is used in the preparation of pyrrolo[2,3-b]pyridine compounds as MRCK inhibitors for treatment of cancer.
Molecular Weight:	114.19 + 2(36.46)
Molecular Formula:	C6H14N2·2(HCl)
Canonical SMILES:	CNC1CCCNC1.Cl.Cl
InChI:	InChI=1S/C6H14N2.2ClH/c1-7-6-3-2-4-8-5-6/h6-8H,2-5H2,1H32*1H/t6-/m0../s1
InChI Key:	VEXIRMPBAHTVNL-ILKKLZGPSA-N
References:	Pugliese, A., et al. PCT Int. Appl. 315 pp. (2019).

Complexity:	63.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0690539
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	186.0690539
Rotatable Bond Count:	1
Topological Polar Surface Area:	24.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0