Basic information
- CAS
6033-67-6- Standard SMILES
CCC(CC)N1CCN(Cc2cccc(Cl)c2)CC1- InChIKey
CHQPQCTWPUOFNP-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2
- Average molar mass
- 280.83 g/mol
- Monoisotopic mass
- 280.1706265
Names & identifiers
- Preferred name
- 1-(3-Chlorobenzyl)-4-(pentan-3-yl)piperazine
- IUPAC
- 1-[(3-chlorophenyl)methyl]-4-pentan-3-ylpiperazine
Names & synonyms
6033-67-61-(3-chlorobenzyl)-4-(pentan-3-yl)piperazineCBMicro_0325561-[(3-chlorophenyl)methyl]-4-pentan-3-ylpiperazineOprea1_8464905985-48-8DTXSID50358124AKOS003651449BIM-0032603.P001ST451092734-[(3-chlorophenyl)methyl]-1-(ethylpropyl)piperazine1-(3-CHLOROBENZYL)-4-(1-ETHYLPROPYL)PIPERAZINE
Show more names
1-[(3-CHLOROPHENYL)METHYL]-4-(PENTAN-3-YL)PIPERAZINE
Database identifiers
- CAS
6033-67-6- PubChem CID
- 877792
- DTXSID
DTXSID50358124
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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