Isonipecotic acid, 1-(2-anilinoethyl)-4-phenyl-, ethyl ester
Basic information
- CAS
13830-05-2- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCNc2ccccc2)CC1- InChIKey
YJESBDXQZRYQFI-UHFFFAOYSA-N- Molecular formula
- C22H28N2O2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.21507814
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-(2-anilinoethyl)-4-phenyl-, ethyl ester
- IUPAC
- ethyl 1-(2-anilinoethyl)-4-phenylpiperidine-4-carboxylate
Names & synonyms
BRN 0327208WIN 13,797Isonipecotic acid, 1-(2-anilinoethyl)-4-phenyl-, ethyl ester13830-05-2DTXSID90160561Ethyl 4-phenyl-1-(2-(phenylamino)ethyl)piperidine-4-carboxylate4-22-00-01034 (Beilstein Handbook Reference)4-Phenyl-1-(2-(phenylamino)ethyl)-4-piperidinecarboxylic acid ethyl ester4-Piperidinecarboxylic acid, 4-phenyl-1-(2-(phenylamino)ethyl)-, ethyl esterRefChem:349728DTXCID4083052ethyl 1-(2-anilinoethyl)-4-phenylpiperidine-4-carboxylate
Database identifiers
- CAS
13830-05-2- PubChem CID
- 203095
- DTXSID
DTXSID90160561
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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