2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol

C15H26F3NO — CID 114339764

IUPAC2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C15H26F3NO/c16-15(17,18)9-5-11-19-10-4-3-7-13(19)12-6-1-2-8-14(12)20/h12-14,20H,1-11H2
InChIKeyBOSFTZKJODRQBU-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.73
Rot. Bonds4

About 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339764) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339764
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C15H26F3NO/c16-15(17,18)9-5-11-19-10-4-3-7-13(19)12-6-1-2-8-14(12)20/h12-14,20H,1-11H2
InChIKeyBOSFTZKJODRQBU-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanol, 2-piperidinomethyl-, hydrochloride
CID 201697
2-(Piperidin-1-ylmethyl)cyclohexan-1-ol
CID 201698
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
2-Methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302441
2-methyl-1-[[(3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302491
1-(Cyclohexylmethyl)-2-(fluoromethyl)piperidin-4-ol
CID 155302541
1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
2-Methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 155302688
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767
2-Methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302769
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
1-[2-[4-(Trifluoromethyl)cyclohexyl]ethyl]piperidin-4-ol
CID 157038918

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol (CID 114339764) is 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCCN1CCCC(F)(F)F.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is BOSFTZKJODRQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c16-15(17,18)9-5-11-19-10-4-3-7-13(19)12-6-1-2-8-14(12)20/h12-14,20H,1-11H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).