2-(1-Piperidinyl)benzoic Acid - CAS 42093-97-0

Catalog:	BB025042
Product Name:	2-(1-Piperidinyl)benzoic Acid
CAS:	42093-97-0
Synonyms:	2-(1-piperidinyl)benzoic acid; 2-piperidin-1-ylbenzoic acid

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Computed Properties

IUPAC Name:	2-piperidin-1-ylbenzoic acid
Description:	2-(1-Piperidinyl)benzoic Acid (CAS# 42093-97-0) is a useful research chemical.
Molecular Weight:	205.25
Molecular Formula:	C12H15NO2
Canonical SMILES:	C1CCN(CC1)C2=CC=CC=C2C(=O)O
InChI:	InChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChI Key:	TVEAZHOLMPKUGM-UHFFFAOYSA-N
LogP:	2.44010

Publication Number	Title	Priority Date
US-11091447-B2	UBE2K modulators and methods for their use	20200103
US-2021214320-A1	Ube2k modulators and methods for their use	20200103
WO-2021138540-A1	Polycyclic amides as ube2k modulators for treating cancer	20200103
JP-2019507115-A	Methods for the treatment of myeloid derived suppressor cell related disorders	20160111
CZ-2015667-A3	Derivatives of 3-hydroxy-2-phenylquinoline-4(1H)-one with increased solubility, the method of their preparation and use	20150925

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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:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.110278721
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.110278721
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4