1-Benzylpiperidine-4-carboxylic acid
Properties
- Molecular formula
- C13H17NO2
- Molar mass
- 219.28 g/mol
- Exact mass
- 219.1259 Da
- Melting point
- 169–170.5 °C
- logP
- 1.98Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
10315-07-8SMILES
O=C(O)C1CCN(Cc2ccccc2)CC1InChIKey
ZMVSVQMWFTZSJQ-UHFFFAOYSA-NInChI
InChI=1S/C13H17NO2/c15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1-(Phenylmethyl)-4-piperidinecarboxylic acid
- 4-Piperidinecarboxylic acid, 1-(phenylmethyl)-
- Isonipecotic acid, 1-benzyl-
- 1-Benzyl-4-piperidinecarboxylic acid
- N-Benzylpiperidine-4-carboxylic acid
- N-Benzyl-isonipecotic acid
Work with 1-Benzylpiperidine-4-carboxylic acid
Similar compounds
N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-083 % similar
1-Benzoyl-4-piperidinecarboxylic acid5274-99-762 % similar
Methyl 1-benzylpiperidine-4-carboxylate10315-06-759 % similar
1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-458 % similar
1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-156 % similar
N-Benzyl-L-proline31795-93-456 % similar
Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-856 % similar
4-Benzylmorpholine-2-carboxylic acid769087-80-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds