4-(Chloromethyl)piperidine Hydrochloride - CAS 1822-61-3

Catalog:	BB013899
Product Name:	4-(Chloromethyl)piperidine Hydrochloride
CAS:	1822-61-3
Synonyms:	4-(chloromethyl)piperidine;hydrochloride; 4-(chloromethyl)piperidine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	4-(chloromethyl)piperidine;hydrochloride
Description:	4-(Chloromethyl)piperidine Hydrochloride (CAS# 1822-61-3) is a reagent used in the synthesis of N-type calcium channel blocker (NP118809) derivatives.
Molecular Weight:	170.08
Molecular Formula:	C6H13Cl2N
Canonical SMILES:	C1CNCCC1CCl.Cl
InChI:	InChI=1S/C6H12ClN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChI Key:	XLHLVPVJPDGPBC-UHFFFAOYSA-N
Boiling Point:	189.5 °C at 760 mmHg
Density:	0.99 g/cm³
LogP:	2.35560

Publication Number	Title	Priority Date
EP-1789399-A1	Quinazolinone derivatives and their use as b-raf inhibitors	20040831
WO-2006024834-A1	Quinazolinone derivatives and their use as b-raf inhibitors	20040831
EP-1626958-A1	(piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht 1f agonists	20030418
WO-2004094380-A1	(piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists	20030418
HU-0202263-A2	Benzimidazole, indole and imidazo-pyridine derivatives and pharmaceutical compositions containing them	19991227

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Complexity:	59.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0425048
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	169.0425048
Rotatable Bond Count:	1
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0