4-Phenethylpiperidine - CAS 24152-41-8

Catalog:	BB018341
Product Name:	4-Phenethylpiperidine
CAS:	24152-41-8
Synonyms:	4-(2-phenylethyl)piperidine; 4-(2-phenylethyl)piperidine

Technical Data

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Computed Properties

IUPAC Name:	4-(2-phenylethyl)piperidine
Description:	4-Phenethylpiperidine (CAS# 24152-41-8) is a useful research chemical.
Molecular Weight:	189.30
Molecular Formula:	C13H19N
Canonical SMILES:	C1CNCCC1CCC2=CC=CC=C2
InChI:	InChI=1S/C13H19N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,13-14H,6-11H2
InChI Key:	WFTPSTRUUZKFRH-UHFFFAOYSA-N
Boiling Point:	289.6 °C at 760 mmHg
Density:	0.942 g/cm³
Appearance:	Light pale yellow cloudy liquid
MDL:	MFCD05022471
LogP:	2.94760

Publication Number	Title	Priority Date
WO-2019213584-A1	Modulators of orphan nuclear receptors for nash and other metabolic disorders	20180503
CN-112334137-A	Orphan nuclear receptor modulators for NASH and other metabolic disorders	20180503
EP-3787631-A1	Modulators of orphan nuclear receptors for nash and other metabolic disorders	20180503
US-2021052603-A1	Modulators of orphan nuclear receptors for nash and other metabolic disorders	20180503
AU-2018386327-A1	1 -(piperidinocarbonylmethyl)-2-oxopiperazine derivatives for treating cancer	20171215

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Related Functional Groups

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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:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.151749610
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.151749610
Rotatable Bond Count:	3
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3