Basic information
- CAS
93145-87-0- Standard SMILES
CCOC1(OCC)CCN(Cc2ccccc2)CC1- InChIKey
BIWIVGCTGYSXRF-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Names & identifiers
- Preferred name
- 1-Benzyl-4,4-diethoxypiperidine
- IUPAC
- 1-benzyl-4,4-diethoxypiperidine
- English name
- 1-BENZYL-4,4-DIETHOXY-PIPERIDINE
- Molecular formula
- C16H25NO2
- Molecular weight
- 263.38
Names & synonyms
1-benzyl-4,4-diethoxypiperidine93145-87-0Piperidine, 4,4-diethoxy-1-(phenylmethyl)-1-benzyl-4,4-diethoxy-piperidineSCHEMBL2147364BIWIVGCTGYSXRF-UHFFFAOYSA-NALBB-038084MFCD05682910AKOS015955364DA-00690VS-09788CS-0358100
Database identifiers
- CAS
93145-87-0- PubChem CID
- 3925935
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 134 · 134-147 °C(Press: 0.75 Torr)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
1 records
Compound notes
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