2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid

C14H16F3NO2 — CID 115059093

IUPAC2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(C(F)(F)F)c2)CCCCN1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-5-3-4-10(8-11)13(9-12(19)20)6-1-2-7-18-13/h3-5,8,18H,1-2,6-7,9H2,(H,19,20)
InChIKeyAULDIKRYFWFHMS-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid

2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid (PubChem CID 115059093) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
PubChem CID115059093
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(C(F)(F)F)c2)CCCCN1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-5-3-4-10(8-11)13(9-12(19)20)6-1-2-7-18-13/h3-5,8,18H,1-2,6-7,9H2,(H,19,20)
InChIKeyAULDIKRYFWFHMS-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
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CID 115059013
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
2-[3-(trifluoromethyl)phenyl]oxetane-2-carboxylic acid
CID 117258800
(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 98042591
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
2-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 117194011

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid (CID 115059093) is 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid is O=C(O)CC1(c2cccc(C(F)(F)F)c2)CCCCN1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid?
The InChIKey is AULDIKRYFWFHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)11-5-3-4-10(8-11)13(9-12(19)20)6-1-2-7-18-13/h3-5,8,18H,1-2,6-7,9H2,(H,19,20).
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid?
2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 115059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).