Basic information
- CAS
100700-45-6- Standard SMILES
O=C(CCCN1CCC(c2ccccc2)CC1)c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1- InChIKey
HVHWQLADKGOQSZ-UHFFFAOYSA-N- Molecular formula
- C32H37ClN2O2
- Average molar mass
- 517.1 g/mol
- Monoisotopic mass
- 516.2543561
Names & identifiers
- Preferred name
- Butyrophenone, 4'-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4-(4-phenylpiperidino)-
- IUPAC
- 1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(4-phenylpiperidin-1-yl)butan-1-one
Names & synonyms
100700-45-6Butyrophenone, 4'-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4-(4-phenylpiperidino)-4'-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4-(4-phenylpiperidino)butyrophenoneDTXSID70143473RefChem:331389DTXCID70659641-{4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl}-4-(4-phenylpiperidin-1-yl)butan-1-one
Database identifiers
- CAS
100700-45-6- PubChem CID
- 57997
- DTXSID
DTXSID70143473- Nikkaji
- J67.446J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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