Basic information
- CAS
628717-19-1- Standard SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1- InChIKey
IMDYVHIBOROIMV-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- 1-Piperidinecarboxylic acid, 4-(phenylmethyl)-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 4-benzylpiperidine-1-carboxylate
Names & synonyms
628717-19-11-Piperidinecarboxylic acid, 4-(phenylmethyl)-, 4-nitrophenyl esterDTXSID20463173RefChem:234341DTXCID80413992SCHEMBL24775804-NITROPHENYL 4-BENZYLPIPERIDINE-1-CARBOXYLATE4-benzyl-piperidine-1-carboxylic acid 4-nitrophenyl ester
Database identifiers
- CAS
628717-19-1- PubChem CID
- 11348386
- DTXSID
DTXSID20463173
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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