3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid

C10H16F3NO3 — CID 112737743

IUPAC3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCC(O)(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-7(8(15)16)6-14-4-2-9(17,3-5-14)10(11,12)13/h7,17H,2-6H2,1H3,(H,15,16)
InChIKeyYQGLJBUZQKVISL-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.10
Rot. Bonds3

About 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid

3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid (PubChem CID 112737743) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid
PubChem CID112737743
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCC(O)(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-7(8(15)16)6-14-4-2-9(17,3-5-14)10(11,12)13/h7,17H,2-6H2,1H3,(H,15,16)
InChIKeyYQGLJBUZQKVISL-UHFFFAOYSA-N
XLogP1.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.10
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]-2-methylpropanoic acid?
The IUPAC name of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid (CID 112737743) is 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid is CC(CN1CCC(O)(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is YQGLJBUZQKVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(8(15)16)6-14-4-2-9(17,3-5-14)10(11,12)13/h7,17H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid?
3-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.10, 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]-2-methylpropanoic acid is sourced from PubChem (CID 112737743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).