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

C9H14F3NO2 — CID 165436290

IUPAC3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-3-1-2-5-13(7)6-4-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyVOWZKNWZFNNIMB-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.88
Rot. Bonds3

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

3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid (PubChem CID 165436290) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid
PubChem CID165436290
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7-3-1-2-5-13(7)6-4-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyVOWZKNWZFNNIMB-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 165436287
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
3-[(2S)-2-cyclohexylpyrrolidin-1-yl]propanoic acid
CID 42576565
3-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]propanoic acid
CID 113326572
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129323089
3-[2-(3-methylbutyl)piperidin-1-yl]propanoic acid
CID 119994332
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
4-(2-aminopiperidin-1-yl)butanoic acid
CID 77220070
2-amino-6-borono-2-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]hexanoic acid
CID 66833203
3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid
CID 127009430

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid (CID 165436290) is 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCCCC1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The InChIKey is VOWZKNWZFNNIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7-3-1-2-5-13(7)6-4-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid?
3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid has a molecular weight of 225.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 165436290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).