2-[4-(Cyclohexylmethyl)-1-piperazinyl]benzenemethanamine
Basic information
- CAS
1018657-20-9- Standard SMILES
NCc1ccccc1N1CCN(CC2CCCCC2)CC1- InChIKey
BMPHOORDYTZPDJ-UHFFFAOYSA-N- Molecular formula
- C18H29N3
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.23614794
Names & identifiers
- Preferred name
- 2-[4-(Cyclohexylmethyl)-1-piperazinyl]benzenemethanamine
- IUPAC
- [2-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methanamine
Names & synonyms
DTXSID5012020181018657-20-92-[4-(Cyclohexylmethyl)-1-piperazinyl]benzenemethanamine1-{2-[4-(Cyclohexylmethyl)piperazin-1-yl]phenyl}methanamine
Database identifiers
- CAS
1018657-20-9- PubChem CID
- 28801908
- DTXSID
DTXSID501202018
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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