4-Hydroxy-4-methylpiperidine Hydrochloride - CAS 586375-35-1

Catalog:	BB030109
Product Name:	4-Hydroxy-4-methylpiperidine Hydrochloride
CAS:	586375-35-1
Synonyms:	4-methyl-4-piperidinol;hydrochloride; 4-methylpiperidin-4-ol;hydrochloride

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Computed Properties

IUPAC Name:	4-methylpiperidin-4-ol;hydrochloride
Description:	4-Hydroxy-4-methylpiperidine Hydrochloride (CAS# 586375-35-1) is a useful research chemical.
Molecular Weight:	151.63
Molecular Formula:	C6H14ClNO
Canonical SMILES:	CC1(CCNCC1)O.Cl
InChI:	InChI=1S/C6H13NO.ClH/c1-6(8)2-4-7-5-3-6;/h7-8H,2-5H2,1H3;1H
InChI Key:	AYXAEOAVYSHGSB-UHFFFAOYSA-N
Appearance:	White to yellow solid
MDL:	MFCD11044137
LogP:	1.25160

Publication Number	Title	Priority Date
CN-111471059-A	PDE9 inhibitors and uses thereof	20190123
US-2020199131-A1	Imidazopyridazine and imidazopyridine compounds and uses thereof	20181220
WO-2020132197-A1	Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2	20181220
CA-3050156-A1	Compounds	20170125
EP-3573956-A1	Compounds	20170125

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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:	76.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0763918
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.0763918
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0