4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride

C7H11ClF3NO3 — CID 175913694

IUPAC4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(O)(C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3NO3.ClH/c8-7(9,10)6(14)1-2-11-4(3-6)5(12)13;/h4,11,14H,1-3H2,(H,12,13);1H
InChIKeyJSTYHFGMWKKTSY-UHFFFAOYSA-N
MW249.62 g/mol
LogP0.54
Rot. Bonds1

About 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride

4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride (PubChem CID 175913694) has the molecular formula C7H11ClF3NO3 and a molecular weight of 249.62 g/mol. Its IUPAC name is 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
PubChem CID175913694
Molecular FormulaC7H11ClF3NO3
Molecular Weight249.62 g/mol
Exact Mass249.04
IUPAC Name4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(O)(C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3NO3.ClH/c8-7(9,10)6(14)1-2-11-4(3-6)5(12)13;/h4,11,14H,1-3H2,(H,12,13);1H
InChIKeyJSTYHFGMWKKTSY-UHFFFAOYSA-N
XLogP0.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride (CID 175913694) is 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(O)(C(F)(F)F)CCN1.
What is the InChIKey of 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The InChIKey is JSTYHFGMWKKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3.ClH/c8-7(9,10)6(14)1-2-11-4(3-6)5(12)13;/h4,11,14H,1-3H2,(H,12,13);1H.
What are the key properties of 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride has a molecular weight of 249.62 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 175913694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).