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

C12H20F3NO — CID 79618127

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-2-6-16(8-9)10-4-1-5-11(17)7-10/h9-11,17H,1-8H2
InChIKeyZUIUPLRJSYJSCD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds1

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

3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 79618127) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID79618127
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-3-2-6-16(8-9)10-4-1-5-11(17)7-10/h9-11,17H,1-8H2
InChIKeyZUIUPLRJSYJSCD-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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol (CID 79618127) is 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol is OC1CCCC(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is ZUIUPLRJSYJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-3-2-6-16(8-9)10-4-1-5-11(17)7-10/h9-11,17H,1-8H2.
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
3-[3-(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-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 79618127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).