[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate

C15H17F4NO2 — CID 134366953

IUPAC[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(CCc2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F4NO2/c16-13-5-3-11(4-6-13)1-2-12-7-9-20(10-8-12)22-14(21)15(17,18)19/h3-6,12H,1-2,7-10H2
InChIKeyFWEVLVGWWVOXGA-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.49
Rot. Bonds4

About [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 134366953) has the molecular formula C15H17F4NO2 and a molecular weight of 319.30 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID134366953
Molecular FormulaC15H17F4NO2
Molecular Weight319.30 g/mol
Exact Mass319.12
IUPAC Name[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(CCc2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C15H17F4NO2/c16-13-5-3-11(4-6-13)1-2-12-7-9-20(10-8-12)22-14(21)15(17,18)19/h3-6,12H,1-2,7-10H2
InChIKeyFWEVLVGWWVOXGA-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxylamine, O-acetyl-N-ethyl-N-(alpha-methyl-m-(trifluoromethyl)phenethyl)-
CID 3024373
Difluoromethyl 4-benzylpiperidine-1-carboxylate
CID 146161418
4-Phenylpiperidine;2,2,2-trifluoroacetic acid
CID 11311890
3-[4-(3-Fluorophenyl)piperidin-1-yl]propanoic acid
CID 19847315
3-[4-(4-Fluorophenyl)piperidin-1-yl]propanoic acid
CID 19847317
4-(4-Fluorophenyl)-methoxy piperidine
CID 22707847
[4-[(4-Fluorophenyl)methyl]piperidin-1-yl] formate
CID 54133664
(4-Phenylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 57289962
(1-Benzylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468110
3-[4-(4-Trifluoromethyl-phenyl)-piperidin-1-yl]-propionic acid lithium salt
CID 58576884
2-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]acetic acid
CID 59036689
[3-[[4-(Trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl] acetate
CID 67170982

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 134366953) is [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CCC(CCc2ccc(F)cc2)CC1)C(F)(F)F.
What is the InChIKey of [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is FWEVLVGWWVOXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO2/c16-13-5-3-11(4-6-13)1-2-12-7-9-20(10-8-12)22-14(21)15(17,18)19/h3-6,12H,1-2,7-10H2.
What are the key properties of [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 319.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 134366953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).