3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol

C12H20F3NO — CID 79618233

IUPAC3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-4-6-16(7-5-9)10-2-1-3-11(17)8-10/h9-11,17H,1-8H2
InChIKeyXCBGNRLDSJMBLI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds1

About 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol

3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 79618233) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID79618233
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCC(N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-4-6-16(7-5-9)10-2-1-3-11(17)8-10/h9-11,17H,1-8H2
InChIKeyXCBGNRLDSJMBLI-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol (CID 79618233) is 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol is OC1CCCC(N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is XCBGNRLDSJMBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-4-6-16(7-5-9)10-2-1-3-11(17)8-10/h9-11,17H,1-8H2.
What are the key properties of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 79618233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).