4-Hydroxy-1-(2-pyrimidyl)piperidine - CAS 893755-98-1

Catalog:	BB039458
Product Name:	4-Hydroxy-1-(2-pyrimidyl)piperidine
CAS:	893755-98-1
Synonyms:	1-(2-pyrimidinyl)-4-piperidinol; 1-pyrimidin-2-ylpiperidin-4-ol

Technical Data

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Computed Properties

IUPAC Name:	1-pyrimidin-2-ylpiperidin-4-ol
Description:	4-Hydroxy-1-(2-pyrimidyl)piperidine (CAS# 893755-98-1) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C9H13N3O
Canonical SMILES:	C1CN(CCC1O)C2=NC=CC=N2
InChI:	InChI=1S/C9H13N3O/c13-8-2-6-12(7-3-8)9-10-4-1-5-11-9/h1,4-5,8,13H,2-3,6-7H2
InChI Key:	ZATIGSFNFLXZAS-UHFFFAOYSA-N
Boiling Point:	365.5 °C at 760 mmHg
Density:	1.234 g/cm³
MDL:	MFCD05864742
LogP:	0.50270

Publication Number	Title	Priority Date
CN-111284108-A	Preparation process of multilayer composite automobile leather	20200219
US-2021186935-A1	Rapamycin analogs and uses thereof	20191205
WO-2021113665-A1	Rapamycin analogs and uses thereof	20191205
CN-108884056-A	Aminopyrimidine SSAO inhibitor	20160812
JP-2021091716-A	3-((Hetero-) aryl) -8-amino-2-oxo-1,3-diaza-spiro- [4.5] -decane derivative	20160113

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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:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.105862047
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.105862047
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5