4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid

C7H10F3NO3 — CID 23120478

IUPAC4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(14)1-3-11(4-2-6)5(12)13/h14H,1-4H2,(H,12,13)
InChIKeyAKAWQHWOTOFLNL-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.05
Rot. Bonds

About 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid

4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid (PubChem CID 23120478) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid
PubChem CID23120478
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(14)1-3-11(4-2-6)5(12)13/h14H,1-4H2,(H,12,13)
InChIKeyAKAWQHWOTOFLNL-UHFFFAOYSA-N
XLogP1.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid (CID 23120478) is 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid?
The InChIKey is AKAWQHWOTOFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)6(14)1-3-11(4-2-6)5(12)13/h14H,1-4H2,(H,12,13).
What are the key properties of 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid?
4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid has a molecular weight of 213.15 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 23120478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).