3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol

C13H23F2NO — CID 165491882

IUPAC3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)CC1N1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-2-10-4-5-11(17)8-12(10)16-7-3-6-13(14,15)9-16/h10-12,17H,2-9H2,1H3
InChIKeyKIMZJWLDSLZQDT-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds2

About 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol

3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol (PubChem CID 165491882) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol
PubChem CID165491882
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)CC1N1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-2-10-4-5-11(17)8-12(10)16-7-3-6-13(14,15)9-16/h10-12,17H,2-9H2,1H3
InChIKeyKIMZJWLDSLZQDT-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

1-[2-(4,4-Difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
CID 155302644
1-[(4,4-Difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
CID 155302767
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
1,2-Dimethyldecahydroquinoline-5-ol
CID 13244764
4-Ethyl-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 65530983
4-Ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 65531172
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
2-[1-(3,3,3-Trifluoropropyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339745
2-[1-(4,4,4-Trifluorobutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339764
2-[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339767
2-[1-(2,2-Difluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339781

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol (CID 165491882) is 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)CC1N1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol?
The InChIKey is KIMZJWLDSLZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-2-10-4-5-11(17)8-12(10)16-7-3-6-13(14,15)9-16/h10-12,17H,2-9H2,1H3.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol?
3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol has a molecular weight of 247.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 165491882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).