Completing data — usually done within a minute
Basic information
- CAS
116331-14-7- Standard SMILES
NCCCCN1CCN(c2cccc(Cl)c2)CC1- InChIKey
KEYKSGMTHPRQBZ-UHFFFAOYSA-N- Molecular formula
- C14H22ClN3
- Average molar mass
- 267.8 g/mol
- Monoisotopic mass
- 267.15022538
Names & identifiers
- Preferred name
- 4-[4-(3-Chlorophenyl)piperazin-1-yl]butan-1-amine
- IUPAC
- 4-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-amine
Names & synonyms
116331-14-74-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-amine4-[4-(3-chlorophenyl)piperazino]butylamine1-Piperazinebutanamine, 4-(3-chlorophenyl)-4-[1-(3-chlorophenyl)piperazin-4-yl]butylamineSCHEMBL3187894DTXSID50511191KEYKSGMTHPRQBZ-UHFFFAOYSA-NAKOS000262470DB-3577701-(4-aminobutyl)-4-(3-chlorophenyl)piperazine4-[4-(3-chlorophenyl)piperazin-1-yl]butylamine
Database identifiers
- CAS
116331-14-7- PubChem CID
- 12840704
- DTXSID
DTXSID50511191
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Related reactions
2 records
Compound notes
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