2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid

C16H20F3NO2 — CID 75371976

IUPAC2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)14-4-2-1-3-13(14)6-5-12-7-9-20(10-8-12)11-15(21)22/h1-4,12H,5-11H2,(H,21,22)
InChIKeyIUNGGZFMSOGTLB-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.43
Rot. Bonds5

About 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid

2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid (PubChem CID 75371976) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
PubChem CID75371976
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)14-4-2-1-3-13(14)6-5-12-7-9-20(10-8-12)11-15(21)22/h1-4,12H,5-11H2,(H,21,22)
InChIKeyIUNGGZFMSOGTLB-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-2-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)acetic acid
CID 117607537
2-(4-Phenylpiperidin-1-yl)acetic acid
CID 1089052
Lithium 2-[methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]amino]acetate
CID 44303910
Piperidine, 1-propyl-3-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:1)
CID 3053802
(4-Benzylpiperidin-1-yl)oxoacetic acid
CID 16110264
Ethyl 2-(4-phenylpiperidino)acetate
CID 3829780
2-Spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
CID 68895680
2-[Carboxymethyl(3-phenylpropyl)amino]acetic acid
CID 747006
2-(4-Phenylpiperidin-1-ium-1-yl)acetate
CID 6965287
2-(5-Methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 118743503
2-[(6-Fluoro-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-methylamino]acetic acid
CID 9797701
2-[[1-(4-Fluorophenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid
CID 9865821

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid (CID 75371976) is 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(CCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid?
The InChIKey is IUNGGZFMSOGTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)14-4-2-1-3-13(14)6-5-12-7-9-20(10-8-12)11-15(21)22/h1-4,12H,5-11H2,(H,21,22).
What are the key properties of 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid?
2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 75371976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).