[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate

C14H16F3NO2 — CID 174645067

IUPAC[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCNC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO2/c1-9(19)20-12-5-6-18-13(8-12)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13,18H,5-6,8H2,1H3
InChIKeyFMTZNDPSSRUBRX-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.06
Rot. Bonds2

About [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate

[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate (PubChem CID 174645067) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
PubChem CID174645067
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCNC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO2/c1-9(19)20-12-5-6-18-13(8-12)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13,18H,5-6,8H2,1H3
InChIKeyFMTZNDPSSRUBRX-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 117000351
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
7-methyl-3-[3-(trifluoromethyl)phenyl]-1,4-thiazepane 1,1-dioxide
CID 66230681
[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
CID 175272378
(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 175296413
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
3-[3-(trifluoromethyl)phenyl]pyrazolidine
CID 105469483
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690
[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
CID 174645078
[2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl] acetate
CID 174645029
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 165142036

Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate?
The IUPAC name of [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate (CID 174645067) is [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate.
What is the SMILES notation for [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate?
The canonical SMILES for [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate is CC(=O)OC1CCNC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate?
The InChIKey is FMTZNDPSSRUBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(19)20-12-5-6-18-13(8-12)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13,18H,5-6,8H2,1H3.
What are the key properties of [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate?
[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate has a molecular weight of 287.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate is sourced from PubChem (CID 174645067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).