4-(2-Piperidyl)-1-butanol - CAS 90726-50-4

Catalog:	BB039938
Product Name:	4-(2-Piperidyl)-1-butanol
CAS:	90726-50-4
Synonyms:	4-(2-piperidinyl)-1-butanol; 4-piperidin-2-ylbutan-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	4-piperidin-2-ylbutan-1-ol
Description:	4-(2-Piperidyl)-1-butanol (CAS# 90726-50-4) is a useful research chemical.
Molecular Weight:	157.25
Molecular Formula:	C9H19NO
Canonical SMILES:	C1CCNC(C1)CCCCO
InChI:	InChI=1S/C9H19NO/c11-8-4-2-6-9-5-1-3-7-10-9/h9-11H,1-8H2
InChI Key:	LYNLSABRWGOHRC-UHFFFAOYSA-N
LogP:	1.61990

Publication Number	Title	Priority Date
US-2006289745-A1	Combined mass and differential mobility spectrometry and associated methods, systems, and devices	20050524
US-8581178-B2	Combined mass and differential mobility spectrometry and associated methods, systems, and devices	20050524
EP-1444211-A2	Quinazoline derivatives as antitumor agents	20011103
US-2005054662-A1	Quinazoline derivatives as antitumor agents	20011103
US-2007088044-A1	Quinazoline derivatives as antitumor agents	20011103

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Complexity:	95.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.14666423
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	157.14666423
Rotatable Bond Count:	4
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1