Basic information
- CAS
64050-39-1- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccc(OCCc2ccccc2)cc1- InChIKey
QNLGJZLZHRDTBP-UHFFFAOYSA-N- Molecular formula
- C24H31NO3
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.23039385
Names & identifiers
- Preferred name
- Benzoic acid, p-phenethyloxy-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-(2-phenylethoxy)benzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-phenethyloxybenzoate
- Molecular formula
- C24H31NO3
- Molecular weight
- 381.51
Names & synonyms
64050-39-1BENZOIC ACID, p-PHENETHYLOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:10793273-(2'-Methylpiperidino)propyl p-phenethyloxybenzoate3-(2-methylpiperidin-1-yl)propyl 4-phenethyloxybenzoate3-(2-methylpiperidin-1-yl)propyl 4-(2-phenylethoxy)benzoateDTXSID709824003-(2-Methylpiperidino)propyl=p-phenethyloxybenzoateBenzoic acid, 4-(2-phenylethoxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
64050-39-1- PubChem CID
- 47007
- DTXSID
DTXSID70982400- Nikkaji
- J83.485H
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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