1-{4-(3-Chlorophenyl)-1-[3-(morpholin-4-yl)propyl]piperidin-4-yl}ethan-1-one--hydrogen chloride (1/2)
Basic information
- CAS
62270-77-3- Standard SMILES
CC(=O)C1(c2cccc(Cl)c2)CCN(CCCN2CCOCC2)CC1.Cl.Cl- InChIKey
XSLYGZDGQKTLSE-UHFFFAOYSA-N- Molecular formula
- C20H31Cl3N2O2
- Average molar mass
- 437.8 g/mol
- Monoisotopic mass
- 436.145111
Overview
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Names & identifiers
- Preferred name
- 1-{4-(3-Chlorophenyl)-1-[3-(morpholin-4-yl)propyl]piperidin-4-yl}ethan-1-one--hydrogen chloride (1/2)
- IUPAC
- 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ylpropyl)piperidin-4-yl]ethanone;dihydrochloride
Names & synonyms
DTXSID809778421-{4-(3-Chlorophenyl)-1-[3-(morpholin-4-yl)propyl]piperidin-4-yl}ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
62270-77-3- PubChem CID
- 12296286
- DTXSID
DTXSID80977842
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 431
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