4-(4-chloro-phenyl)-piperidine - CAS 26905-02-2

Catalog:	BB019403
Product Name:	4-(4-chloro-phenyl)-piperidine
CAS:	26905-02-2
Synonyms:	4-(4-chlorophenyl)piperidine; 4-(4-chlorophenyl)piperidine

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Computed Properties

IUPAC Name:	4-(4-chlorophenyl)piperidine
Description:	4-(4-chloro-phenyl)-piperidine (CAS# 26905-02-2) is a useful research chemical for the synthesis of biologically active compounds.
Molecular Weight:	195.69
Molecular Formula:	C11H14ClN
Canonical SMILES:	C1CNCCC1C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C11H14ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChI Key:	VKQHTSSNSJIMAL-UHFFFAOYSA-N
Boiling Point:	0 °C
Melting Point:	0 °C
Purity:	95 %
Density:	1.095 g/cm³
LogP:	3.93780

Publication Number	Title	Priority Date
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
WO-2021127328-A1	Trpml modulators	20191219
WO-2021127333-A1	Trpml modulators	20191219
WO-2021127337-A1	Trpml modulators	20191219
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619

PMID	Publication Date	Title	Journal
21687347	20110401	Antidepressant potential of nitrogen-containing heterocyclic moieties: An updated review	Journal of pharmacy & bioallied sciences
16335921	20051215	Further structure-activity relationship studies of piperidine-based monoamine transporter inhibitors: effects of piperidine ring stereochemistry on potency. Identification of norepinephrine transporter selective ligands and broad-spectrum transporter inhibitors	Journal of medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0814771
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0814771
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7