3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C14H22F3NO — CID 165490775

IUPAC3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCCC3(CC3)C2)C1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)11-3-2-10(19)8-12(11)18-7-1-4-13(9-18)5-6-13/h10-12,19H,1-9H2
InChIKeyWCLSMKIIOPVMIM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds1

About 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490775) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490775
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCCC3(CC3)C2)C1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)11-3-2-10(19)8-12(11)18-7-1-4-13(9-18)5-6-13/h10-12,19H,1-9H2
InChIKeyWCLSMKIIOPVMIM-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
rel-(2R,4S)-2-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-4-piperidinol
CID 137343960
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694

Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490775) is 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CCCC3(CC3)C2)C1.
What is the InChIKey of 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WCLSMKIIOPVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)11-3-2-10(19)8-12(11)18-7-1-4-13(9-18)5-6-13/h10-12,19H,1-9H2.
What are the key properties of 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 277.33 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[2.5]octan-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).