Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate

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Basic information

CAS: 21928-40-5
Standard SMILES: CCOC(=O)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIKey: FZKYRYDPWDERJV-UHFFFAOYSA-N
Molecular formula: C15H17ClF3NO3
Average molar mass: 351.75 g/mol
Monoisotopic mass: 351.0849056

Names & identifiers

Preferred name: Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate
IUPAC: ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
English name: Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylate
Molecular formula: C15H17ClF3NO3
Molecular weight: 351.75

Names & synonyms

21928-40-5Ethyl 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidine-1-carboxylateethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate26111-66-0SCHEMBL2269302DTXSID50944526EINECS 244-664-1AKOS0158898904-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinecarboxylic acid ethyl esterETHYL 4-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-4-HYDROXYPIPERIDINE-1- CARBOXYLATENS00049501Ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinecarboxylate

Show more names

4-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethyl-4-hydroxy-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-, ethyl ester

Database identifiers

CAS: 21928-40-5
PubChem CID: 89106
DTXSID: DTXSID50944526
EC Number: 244-664-1
Nikkaji: J225.485I

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 425

Related reactions

3 records

New reaction record

HRID 1562060As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1670769As productuspto-grants-2011_08

HRID 1670770As reactantuspto-grants-2011_08

Compound notes

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