1-Methyl-4-piperidinyl alpha-cyclopentyl-alpha-hydroxybenzeneacetate
Basic information
- CAS
37830-21-0- Standard SMILES
CN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)CC1- InChIKey
DZFJGXMHIMAYMW-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Names & identifiers
- Preferred name
- 1-Methyl-4-piperidinyl alpha-cyclopentyl-alpha-hydroxybenzeneacetate
- IUPAC
- (1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
37830-21-01-Methyl-4-piperidyl cyclopentylphenyl glycolate90H2V46IP4MANDELIC ACID, alpha-CYCLOPENTYL-, 1-METHYL-4-PIPERIDYL ESTERRefChem:10558161-Methyl-4-piperidinyl alpha-cyclopentyl-alpha-hydroxybenzeneacetateN-Methyl-4-piperidyl cyclopentylphenylglycolateEA 3443Mandelic acid, .alpha.-cyclopentyl-, 1-methyl-4-piperidyl esterBenzeneacetic acid, .alpha.-cyclopentyl-.alpha.-hydroxy-, 1-methyl-4-piperidinyl esterBRN 0304134UNII-90H2V46IP4
Show more names
Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-methyl-4-piperidinyl ester4-21-00-00046 (Beilstein Handbook Reference)SCHEMBL4298699DTXSID50958860DZFJGXMHIMAYMW-UHFFFAOYSA-N1-Methyl-4-piperidyl cyclopentylphenylglycolateQ53224691-methylpiperidin-4-yl cyclopentyl(hydroxy)phenylacetate
Database identifiers
- CAS
37830-21-0- PubChem CID
- 37838
- DTXSID
DTXSID50958860- UNII
- 90H2V46IP4
- EC Number
- 609-480-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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