2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid

C14H22F3NO2 — CID 65065071

IUPAC2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-4-3-6-11(8-10)18-7-2-1-5-12(18)9-13(19)20/h10-12H,1-9H2,(H,19,20)
InChIKeyUYNLIWCNOXOEGR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid

2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid (PubChem CID 65065071) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid
PubChem CID65065071
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-4-3-6-11(8-10)18-7-2-1-5-12(18)9-13(19)20/h10-12H,1-9H2,(H,19,20)
InChIKeyUYNLIWCNOXOEGR-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid (CID 65065071) is 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid?
The InChIKey is UYNLIWCNOXOEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)10-4-3-6-11(8-10)18-7-2-1-5-12(18)9-13(19)20/h10-12H,1-9H2,(H,19,20).
What are the key properties of 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid?
2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 65065071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).