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

C13H23F2NO — CID 114339781

IUPAC2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CC(F)F
InChIInChI=1S/C13H23F2NO/c14-13(15)9-16-8-4-3-6-11(16)10-5-1-2-7-12(10)17/h10-13,17H,1-9H2
InChIKeyGNCKVXKXOZBJON-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds3

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

2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339781) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339781
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CC(F)F
InChIInChI=1S/C13H23F2NO/c14-13(15)9-16-8-4-3-6-11(16)10-5-1-2-7-12(10)17/h10-13,17H,1-9H2
InChIKeyGNCKVXKXOZBJON-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.66
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-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol (CID 114339781) is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCCN1CC(F)F.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is GNCKVXKXOZBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)9-16-8-4-3-6-11(16)10-5-1-2-7-12(10)17/h10-13,17H,1-9H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 247.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).