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Basic information
- Standard SMILES
Cc1ccc(Cl)cc1N1CCN(C/C=C\CN)CC1- InChIKey
UACMVVNCODPVES-IHWYPQMZSA-N- Molecular formula
- C15H22ClN3
- Average molar mass
- 279.81 g/mol
- Monoisotopic mass
- 279.1502254
Names & identifiers
- Preferred name
- Cis-4-[4-(5-chloro-2-methylphenyl)piperazinyl]-2-buten-1-amine
- IUPAC
- (Z)-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]but-2-en-1-amine
Names & synonyms
SCHEMBL2314670UACMVVNCODPVES-IHWYPQMZSA-NCis-4-[4-(5-chloro-2-methylphenyl)piperazinyl]-2-buten-1-amine
Database identifiers
- PubChem CID
- 67360596
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
2 records
Compound notes
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