4-(Methylamino)-1-benzylpiperidine - CAS 7006-50-0

Name: 4-(Methylamino)-1-benzylpiperidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034065
Product Name:	4-(Methylamino)-1-benzylpiperidine
CAS:	7006-50-0
Synonyms:	N-methyl-1-(phenylmethyl)-4-piperidinamine; 1-benzyl-N-methylpiperidin-4-amine

Technical Data

IUPAC Name:	1-benzyl-N-methylpiperidin-4-amine
Description:	4-(Methylamino)-1-benzylpiperidine (CAS# 7006-50-0) is a useful intermediate used in the synthesis of Taladegib; a small molecular hedgehog signaling pathway inhibitor.
Molecular Weight:	204.31
Molecular Formula:	C13H20N2
Canonical SMILES:	CNC1CCN(CC1)CC2=CC=CC=C2
InChI:	InChI=1S/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChI Key:	RGEQSTMITLEXKD-UHFFFAOYSA-N
Boiling Point:	303.1 °C at 760 mmHg
Density:	1.018 g/cm³
Appearance:	Colorless clear liquid
MDL:	MFCD03931054
LogP:	2.19920

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111484479-A	Nitrogen heterocyclic compound, pharmaceutical composition containing nitrogen heterocyclic compound, preparation method and application of nitrogen heterocyclic compound	20190125
US-2020071313-A1	Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors	20180831
US-10752623-B2	Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors	20180831
CA-3104913-A1	Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors	20180831
CN-112638898-A	Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors	20180831

Complexity:	167
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:	3
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9