4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid

C14H22F3NO3 — CID 106498758

IUPAC4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)11-3-7-18(8-4-11)9-13(21)5-1-10(2-6-13)12(19)20/h10-11,21H,1-9H2,(H,19,20)
InChIKeyDQOCWDWFWRBNLE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.27
Rot. Bonds3

About 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498758) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID106498758
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)11-3-7-18(8-4-11)9-13(21)5-1-10(2-6-13)12(19)20/h10-11,21H,1-9H2,(H,19,20)
InChIKeyDQOCWDWFWRBNLE-UHFFFAOYSA-N
XLogP2.27
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 106498758) is 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CN2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DQOCWDWFWRBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c15-14(16,17)11-3-7-18(8-4-11)9-13(21)5-1-10(2-6-13)12(19)20/h10-11,21H,1-9H2,(H,19,20).
What are the key properties of 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).