1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride | SBID = 2642 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 32.3 | ||
| Ertl TPSA/Å2: | 32.34 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 4.21 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C18H29ClN2O | ||
| M / g/mol: | 324.9 | ||
| Complexity: | 321.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
- Preferred Abbreviation: Bupivacaine hydrochloride
- IUPAC Name: 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
- CAS:
- CID: 64737
- InChiKey: SIEYLFHKZGLBNX-UHFFFAOYSA-N
- InChi: InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H
- CanoSmiles: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl
- IsoSmiles: CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl
