Butoxylate
Basic information
- CAS
15302-05-3- Standard SMILES
CCCCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1- InChIKey
MQWDTXAOPTYTLC-UHFFFAOYSA-N- Molecular formula
- C32H36N2O2
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.2776784
Names & identifiers
- Preferred name
- Butoxylate
- IUPAC
- butyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
- English name
- Butoxylate
- Molecular formula
- C32H36N2O2
- Molecular weight
- 480.64
Names & synonyms
ButoxylateButoxylate [INN]ButoxylatumButoxylato15302-05-3butoxilatoUNII-13H7H1ET2J13H7H1ET2JR 13191-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-carbonsaeure-butylesterbutossilatoRefChem:122186
Show more names
1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid butyl ester4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, butyl ester
butyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylateSCHEMBL241324CHEMBL2104210DTXSID20864580NS00123557Q27251518Butyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate.
Database identifiers
- CAS
15302-05-3- PubChem CID
- 189909
- DTXSID
DTXSID20864580- ChEMBL
CHEMBL2104210- UNII
- 13H7H1ET2J
- Nikkaji
- J8.550B
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 696
Physicochemical properties
- FDA UNII
- 13 H7H1ET2J · 13H7H1ET2J
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…