Basic information
- CAS
64050-38-0- Standard SMILES
CCCCCC1CCCCN1CCCOC(=O)c1ccccc1- InChIKey
SRZOHCZNOHUVHY-UHFFFAOYSA-N- Molecular formula
- C20H31NO2
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.23547923
Names & identifiers
- Preferred name
- Benzoic acid, 3-(2'-pentylpiperidino)propyl ester
- IUPAC
- 3-(2-pentylpiperidin-1-yl)propyl benzoate
- English name
- 3-(2-Pentylpiperidino)propyl=benzoate
- Molecular formula
- C20H31NO2
- Molecular weight
- 317.47
Names & synonyms
64050-38-0BENZOIC ACID, 3-(2'-PENTYLPIPERIDINO)PROPYL ESTERRefChem:10790583-(2-pentylpiperidin-1-yl)propyl benzoateBRN 02248243-(2'-Pentylpiperidino)propyl benzoate3-(2-pentylpiperidin-1-yl)propylbenzoate4-20-00-01645 (Beilstein Handbook Reference)DTXSID209823993-(2-Pentylpiperidino)propyl=benzoate1-Piperidinepropanol, 2-pentyl-, 1-benzoate
Database identifiers
- CAS
64050-38-0- PubChem CID
- 47006
- DTXSID
DTXSID20982399- Nikkaji
- J83.483A
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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