4-Phenyl-4-piperidinecarboxylic acid

C₁₂H₁₅NO₂CAS 3627-45-0205.26 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₂H₁₅NO₂
Molar mass: 205.26 g/mol
Exact mass: 205.1103 Da
logP: 1.39Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

3627-45-0

SMILES

O=C(O)C1(c2ccccc2)CCNCC1

InChIKey

DZZGGKPKWGPNJA-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

4-Piperidinecarboxylic acid, 4-phenyl-
Isonipecotic acid, 4-phenyl-
Normeperidinic acid
Norpethidinic acid
N-Demethylmeperidinic acid
4-Carboxy-4-phenylpiperidine

Work with 4-Phenyl-4-piperidinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Phenylcyclopropanecarboxylic acid6120-95-276 % similar 1-Phenylcyclopentanecarboxylic acid77-55-471 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-769 % similar 2-Ethyl-2-phenylbutyric acid5465-28-159 % similar 4-Acetyl-4-phenylpiperidine hydrochloride10315-03-458 % similar Triphenylacetic acid595-91-555 % similar 1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-354 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 Methyl 4-pyrrolidin-1-ylbenzoate129414-26-2 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-5 3,4-Diethoxybenzeneacetonitrile27472-21-5 4′-Morpholinoacetophenone39910-98-0 Ethyl 3-(phenylamino)-2-butenoate6287-35-0 N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook