Basic information
- Standard SMILES
COC(=O)C(C)c1cccc(CN[C@H]2CCCN[C@H]2c2ccccc2)c1.Cl.Cl- InChIKey
PIVGQSNYBFXXQE-AWBXHPRJSA-N- Molecular formula
- C22H30Cl2N2O2
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 424.1684336
Names & identifiers
- Preferred name
- (2S,3S)-3-(5-(1-methoxycarbonylethyl)benzyl)amino-2-phenylpiperidine Dihydrochloride
- IUPAC
- methyl 2-[3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]propanoate;dihydrochloride
Names & synonyms
SCHEMBL7586588PIVGQSNYBFXXQE-AWBXHPRJSA-N(2S,3S)-3-(5-(1-methoxycarbonylethyl)benzyl)amino-2-phenylpiperidine Dihydrochloride
Database identifiers
- PubChem CID
- 70137469
Properties
Computed structural properties
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 436
Related reactions
1 records
Compound notes
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