Basic information
- CAS
1213529-00-0- Standard SMILES
COC(=O)c1cccc([C@@H]2CCCCN2)c1- InChIKey
SGQRPGAFXLWANY-LBPRGKRZSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
Names & identifiers
- Preferred name
- methyl (S)-3-(piperidin-2-yl)benzoate
- IUPAC
- methyl 3-[(2S)-piperidin-2-yl]benzoate
- English name
- methyl (S)-3-(piperidin-2-yl)benzoate
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
methyl 3-[(2S)-piperidin-2-yl]benzoatemethyl (S)-3-(piperidin-2-yl)benzoatemethyl(S)-3-(piperidin-2-yl)benzoate3-[(2S)-piperidin-2-yl]benzoateBenzoic acid, 3-(2S)-2-piperidinyl-, methyl ester
Database identifiers
- CAS
1213529-00-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Chemistry & industry
Suppliers1 total
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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