Basic information
- CAS
23905-13-7- Standard SMILES
Cc1cccc(CN2CCN(CCNC(c3ccccc3)c3ccc(Cl)cc3)CC2)c1- InChIKey
XZFSCNFSDDOXPQ-UHFFFAOYSA-N- Molecular formula
- C27H32ClN3
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 433.2284757
Names & identifiers
- Preferred name
- Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(m-methylbenzyl)-
- IUPAC
- N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamine
- English name
- 1-[2-[(p-Chloro-α-phenylbenzyl)amino]ethyl]-4-(3-methylphenylmethyl)piperazine
- Molecular formula
- C27H32ClN3
- Molecular weight
- 434.02
Names & synonyms
23905-13-71-(2-(alpha-(p-Chlorophenyl)benzylamino)ethyl)-4-(m-methylbenzyl)piperazinePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(m-methylbenzyl)-RefChem:372000N-[(4-chlorophenyl)-phenylmethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanamineDTXSID709467291-[2-[(p-Chloro-alpha-phenylbenzyl)amino]ethyl]-4-(3-methylphenylmethyl)piperazineN-[(4-Chlorophenyl)(phenyl)methyl]-2-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-amine1-[2-[(p-Chloro-α-phenylbenzyl)amino]ethyl]-4-(3-methylphenylmethyl)piperazine1-Piperazineethanamine, N-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-
Database identifiers
- CAS
23905-13-7- PubChem CID
- 91054
- DTXSID
DTXSID70946729- Nikkaji
- J50.577C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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