3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid

C9H14F3NO2 — CID 60648050

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-2-1-4-13(6-7)5-3-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyPTMZXUOQCHLEBS-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.74
Rot. Bonds3

About 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid

3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid (PubChem CID 60648050) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
PubChem CID60648050
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-2-1-4-13(6-7)5-3-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyPTMZXUOQCHLEBS-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid (CID 60648050) is 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The InChIKey is PTMZXUOQCHLEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7-2-1-4-13(6-7)5-3-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid?
3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid has a molecular weight of 225.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 60648050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).