4-Methylpiperazine-2-methanol - CAS 85155-83-5

Catalog:	BB037514
Product Name:	4-Methylpiperazine-2-methanol
CAS:	85155-83-5
Synonyms:	(4-methyl-2-piperazinyl)methanol; (4-methylpiperazin-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-methylpiperazin-2-yl)methanol
Description:	4-Methylpiperazine-2-methanol (CAS# 85155-83-5) is a useful research chemical.
Molecular Weight:	130.19
Molecular Formula:	C6H14N2O
Canonical SMILES:	CN1CCNC(C1)CO
InChI:	InChI=1S/C6H14N2O/c1-8-3-2-7-6(4-8)5-9/h6-7,9H,2-5H2,1H3
InChI Key:	JVIKJOXETSHPGJ-UHFFFAOYSA-N
LogP:	-0.85100

Publication Number	Title	Priority Date
US-2021154179-A1	Substituted pyridines and methods of use	20191122
WO-2021102468-A1	Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors	20191122
WO-2021074227-A1	2-methyl-aza-quinazolines	20191015
WO-2019215341-A1	Furin inhibitors	20180511
US-2020331925-A1	Heterocyclic compounds for the treatment of abnormal cellular proliferation	20180104

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.110613074
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.110613074
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1