Basic information
- Standard SMILES
CC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1- InChIKey
MBYXZKMMDFVWPR-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O2
- Average molar mass
- 254.71 g/mol
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-nitro-phenyl)-4-methyl-piperidine
- IUPAC
- 1-(5-chloro-2-nitrophenyl)-4-methylpiperidine
Names & synonyms
1-(5-Chloro-2-nitro-phenyl)-4-methyl-piperidineSCHEMBL3534109MBYXZKMMDFVWPR-UHFFFAOYSA-N1-(5-chloro-2-nitrophenyl)-4-methylpiperidine
Database identifiers
- PubChem CID
- 58638501
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
12 records
Compound notes
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