Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester
Basic information
- CAS
64050-41-5- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
YHUJWSLDSRQQKZ-UHFFFAOYSA-N- Molecular formula
- C22H27NO2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.2041791
Names & identifiers
- Preferred name
- Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-phenylbenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-phenylbenzoate
- Molecular formula
- C22H27NO2
- Molecular weight
- 337.46
Names & synonyms
64050-41-53-(2'-Methylpiperidino)propyl p-phenylbenzoateBENZOIC ACID, p-PHENYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:3279563-(2-methylpiperidin-1-yl)propyl 4-phenylbenzoateDTXSID909824023-(2-METHYLPIPERIDIN-1-YL)PROPYL [1,1'-BIPHENYL]-4-CARBOXYLATE3-(2-Methylpiperidino)propyl=p-phenylbenzoate[1,1'-Biphenyl]-4-carboxylic acid, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
64050-41-5- PubChem CID
- 47009
- DTXSID
DTXSID90982402- Nikkaji
- J83.487D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 484.7 · 484.7±38.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.10(Predicted)
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Compound notes
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