Isonipecotic acid, 4-hydroxy-1-methyl-, diphenylmethyl ester
Basic information
- CAS
102395-66-4- Standard SMILES
CN1CCC(O)(C(=O)OC(c2ccccc2)c2ccccc2)CC1- InChIKey
GFXQTCCWCSVYAN-UHFFFAOYSA-N- Molecular formula
- C20H23NO3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1677936
Names & identifiers
- Preferred name
- Isonipecotic acid, 4-hydroxy-1-methyl-, diphenylmethyl ester
- IUPAC
- benzhydryl 4-hydroxy-1-methylpiperidine-4-carboxylate
Names & synonyms
Diphenylmethyl 4-hydroxy-1-methylisonipecotate102395-66-4ISONIPECOTIC ACID, 4-HYDROXY-1-METHYL-, DIPHENYLMETHYL ESTERDTXSID50145016RefChem:349738DTXCID0067507benzhydryl 4-hydroxy-1-methylpiperidine-4-carboxylatediphenylmethyl 4-hydroxy-1-methylpiperidine-4-carboxylateDB-296981
Database identifiers
- CAS
102395-66-4- PubChem CID
- 59330
- DTXSID
DTXSID50145016- Nikkaji
- J86.363G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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