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Basic information
- CAS
6248-52-8- Standard SMILES
Cl.OC1(c2ccc(Cl)cc2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1- InChIKey
UGWXKIJQGSLYPR-UHFFFAOYSA-N- Molecular formula
- C28H32Cl2N2O
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 482.189169
Names & identifiers
- Preferred name
- 4-Piperidinol, 4-(p-chlorophenyl)-1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-, hydrochloride, hydrate (2:2:1)
- IUPAC
- 4-(4-chlorophenyl)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-ol;hydrochloride
Names & synonyms
4-Piperidinol, 4-(p-chlorophenyl)-1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-, hydrochloride, hydrate (2:2:1)6248-52-8DTXSID30211521RefChem:295838DTXCID60134012SCHEMBL6958730UGWXKIJQGSLYPR-UHFFFAOYSA-N4-(4-chlorophenyl)-1-(3-(10,11-dihydro-5h-dibenz[b,f]azepin-5-yl)-1-propyl)piperidin-4-ol hydrochloride4-(4-Chlorophenyl)-1-[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]piperidin-4-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
6248-52-8- PubChem CID
- 201560
- DTXSID
DTXSID30211521
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 560
Related reactions
4 records
Compound notes
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