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

C13H21F4NO — CID 165490773

IUPAC3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCC(CF)CC2)C1
InChIInChI=1S/C13H21F4NO/c14-8-9-3-5-18(6-4-9)12-7-10(19)1-2-11(12)13(15,16)17/h9-12,19H,1-8H2
InChIKeyJQIZSMDXRWHLIK-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.76
Rot. Bonds2

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

3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490773) has the molecular formula C13H21F4NO and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490773
Molecular FormulaC13H21F4NO
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Name3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCC(CF)CC2)C1
InChIInChI=1S/C13H21F4NO/c14-8-9-3-5-18(6-4-9)12-7-10(19)1-2-11(12)13(15,16)17/h9-12,19H,1-8H2
InChIKeyJQIZSMDXRWHLIK-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.76
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
4-[(4,4-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991245
4-[(3,3-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991364
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
rel-(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethyl-4-piperidinol
CID 137343868
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490773) is 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CCC(CF)CC2)C1.
What is the InChIKey of 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JQIZSMDXRWHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO/c14-8-9-3-5-18(6-4-9)12-7-10(19)1-2-11(12)13(15,16)17/h9-12,19H,1-8H2.
What are the key properties of 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 283.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).