4-Phenyl-4-piperidinecarboxylic acid

C12H15NO2CAS 3627-45-0205.26 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acidSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

7 names
  • 4-Piperidinecarboxylic acid, 4-phenyl-
  • Isonipecotic acid, 4-phenyl-
  • Normeperidinic acid
  • Norpethidinic acid
  • N-Demethylmeperidinic acid
  • 4-Carboxy-4-phenylpiperidine
  • 4-Phenylpiperidine-4-carboxylic acid, compound with toluene-p-sulphonic acid

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-(p-Chlorophenyl)cyclopropanecarboxylic acid72934-37-354 % similar 1-(4-Bromophenyl)cyclopropane-1-carboxylic acid345965-52-853 % 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 Methyl 1-benzylazetidine-2-carboxylate18085-37-5 4-Piperidin-1-yl-benzoic acid22090-24-0 3,4-Diethoxybenzeneacetonitrile27472-21-5 N-Benzyl-L-proline31795-93-4 4-Morpholinoacetophenone39910-98-0 N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-0

Elsewhere

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