Basic information
- CAS
64511-83-7- Standard SMILES
CC(=O)C1(c2ccccc2)CCN(CC(O)COc2cccc([N+](=O)[O-])c2)CC1- InChIKey
QLOYGABMEBDXRY-UHFFFAOYSA-N- Molecular formula
- C22H26N2O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.18417193
Names & identifiers
- Preferred name
- Ethanone, 1-(1-(2-hydroxy-3-(3-nitrophenoxy)propyl)-4-phenyl-4-piperidinyl)-
- IUPAC
- 1-[1-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-phenylpiperidin-4-yl]ethanone
Names & synonyms
BRN 15138691-(1-(2-Hydroxy-3-(3-nitrophenoxy)propyl)-4-phenyl-4-piperidinyl)ethanone64511-83-75-21-08-00167 (Beilstein Handbook Reference)ETHANONE, 1-(1-(2-HYDROXY-3-(3-NITROPHENOXY)PROPYL)-4-PHENYL-4-PIPERIDINYL)-RefChem:340997DTXSID909831311-{1-[2-Hydroxy-3-(3-nitrophenoxy)propyl]-4-phenylpiperidin-4-yl}ethan-1-one
Database identifiers
- CAS
64511-83-7- PubChem CID
- 47409
- DTXSID
DTXSID90983131
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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