Hexahydrodifenidol
Basic information
- CAS
113010-69-8- Standard SMILES
OC(CCCN1CCCCC1)(c1ccccc1)C1CCCCC1- InChIKey
ILHSFCNKNNNPRN-UHFFFAOYSA-N- Molecular formula
- C21H33NO
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.25621468
Overview
muscarinic antagonist; RN from Toxlit
Names & identifiers
- Preferred name
- Hexahydrodifenidol
- IUPAC
- 1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol
- English name
- hexahydrodifenidol
- Molecular formula
- C21H33NO
- Molecular weight
- 315.49
Names & synonyms
HexahydrodifenidolHexahydro-diphenidol113010-69-81-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-olHexahydrodiphenidolRefChem:146054GTPL3221-Cyclohexyl-1-phenyl-4-(piperidin-1-yl)butan-1-olBDBM81960DTXSID60920977ILHSFCNKNNNPRN-UHFFFAOYSA-NCAS_113010-69-8
Show more names
Dodemorph Impurity 3 (Tridemorph)1-Piperidinebutanol, α-cyclohexyl-α-phenyl-1-Phenyl-1-cyclohexyl-4-piperidinobutan-1-ol1-Phenyl-1-cyclohexyl-4-piperidino-1-butanolα-Cyclohexyl-α-(3-piperidinopropyl)benzenemethanol
Piperidinebutanol, alpha-cyclohexyl-alpha-phenyl-L023948Q27077979
Database identifiers
- CAS
113010-69-8- PubChem CID
- 124226
- DTXSID
DTXSID60920977- Nikkaji
- J366.906H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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