Basic information
- CAS
467-68-5- Standard SMILES
CCN1CCCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1- InChIKey
OAWRXBDGRIPUMA-UHFFFAOYSA-N- Molecular formula
- C20H29NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.21474379
Names & identifiers
- Preferred name
- N-Ethyl-3-piperidyl phenylcyclopentylglycolate
- IUPAC
- (1-ethylpiperidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
- English name
- Phenylcyclopentylglycolic acid 1-ethyl-3-piperidinyl ester
- Molecular weight
- 0
Names & synonyms
N-Ethyl-3-piperidyl phenylcyclopentylglycolateB3B8503HM8N-Ethyl-3-piperidyl alpha-phenyl-alpha-cyclopentylglycolateRefChem:1091755467-68-5CHEMBL1266441-ethylpiperidin-3-yl cyclopentyl(hydroxy)phenylacetate1-Ethyl-3-piperidyl-alpha-cyclopentyl mandelateOprea1_301019UNII-B3B8503HM8DTXSID00963641BDBM50225737
Show more names
Phenylcyclopentylglycolic acid 1-ethyl-3-piperidinyl esterα-Cyclopentyl-α-hydroxybenzeneacetic acid 1-ethyl-3-piperidinyl ester
1-Ethylpiperidin-3-yl cyclopentyl(hydroxy)(phenyl)acetateMandelic acid, alpha-cyclopentyl-, 1-ethyl-3-piperidyl esterN-ETHYL-3-PIPERIDYL .ALPHA.-PHENYL-.ALPHA.-CYCLOPENTYLGLYCOLATEBENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, 1-ETHYL-3-PIPERIDINYL ESTER
Database identifiers
- CAS
467-68-5- PubChem CID
- 10086
- DTXSID
DTXSID00963641- ChEMBL
CHEMBL126644- UNII
- B3B8503HM8
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Hallucinogens
Physicochemical properties
- FDA UNII
- 3 B8503HM8 · B3B8503HM8
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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