3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid

C9H14F3NO3 — CID 121203303

IUPAC3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)8(16)2-5-13(6-3-8)4-1-7(14)15/h16H,1-6H2,(H,14,15)
InChIKeyGIKZARMMPLSMSF-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.85
Rot. Bonds3

About 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid

3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid (PubChem CID 121203303) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid
PubChem CID121203303
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)8(16)2-5-13(6-3-8)4-1-7(14)15/h16H,1-6H2,(H,14,15)
InChIKeyGIKZARMMPLSMSF-UHFFFAOYSA-N
XLogP0.85
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid (CID 121203303) is 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The InChIKey is GIKZARMMPLSMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)8(16)2-5-13(6-3-8)4-1-7(14)15/h16H,1-6H2,(H,14,15).
What are the key properties of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid has a molecular weight of 241.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 121203303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).