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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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).