1-(3-Chloropropyl)piperidine - CAS 1458-63-5

Catalog:	BB010014
Product Name:	1-(3-Chloropropyl)piperidine
CAS:	1458-63-5
Synonyms:	1-(3-chloropropyl)piperidine; 1-(3-chloropropyl)piperidine

Technical Data

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Computed Properties

IUPAC Name:	1-(3-chloropropyl)piperidine
Description:	1-(3-Chloropropyl)piperidine was used as a reactant in the preparation of non-imidazole heterocyclic histamine H3 receptor antagonists.
Molecular Weight:	161.67
Molecular Formula:	C8H16ClN
Canonical SMILES:	C1CCN(CC1)CCCCl
InChI:	InChI=1S/C8H16ClN/c9-5-4-8-10-6-2-1-3-7-10/h1-8H2
InChI Key:	HDDNBUNZJIQDBQ-UHFFFAOYSA-N
Boiling Point:	217.3 °C at 760 mmHg
Density:	0.991 g/cm³
LogP:	2.03910

Publication Number	Title	Priority Date
CN-113354616-A	Diaryl-1, 2, 4-triazole compound, preparation method and pharmaceutical application thereof	20200305
CN-110551079-A	Preparation method of high-purity difenidol hydrochloride	20190910
CN-110627744-A	Preparation method of difenidol hydrochloride intermediate	20190910
CN-110551079-B	Preparation method of high-purity difenidol hydrochloride	20190910
JP-2020203991-A	Method for Producing Modified Conjugated Diene Polymer	20190618

PMID	Publication Date	Title	Journal
22470321	20120101	Novel chalcone-based fluorescent human histamine h(3) receptor ligands as pharmacological tools	Frontiers in systems neuroscience

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Complexity:	79.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.0971272
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.0971272
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1