1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol

C13H23F2NO — CID 157038996

IUPAC1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-1-11(2-7-13)3-8-16-9-4-12(17)5-10-16/h11-12,17H,1-10H2
InChIKeyRPAJHWOUOSCKKW-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol

1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol (PubChem CID 157038996) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol
PubChem CID157038996
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2NO/c14-13(15)6-1-11(2-7-13)3-8-16-9-4-12(17)5-10-16/h11-12,17H,1-10H2
InChIKeyRPAJHWOUOSCKKW-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol (CID 157038996) is 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol is OC1CCN(CCC2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol?
The InChIKey is RPAJHWOUOSCKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)6-1-11(2-7-13)3-8-16-9-4-12(17)5-10-16/h11-12,17H,1-10H2.
What are the key properties of 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol?
1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-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 1-[2-(4,4-difluorocyclohexyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 157038996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).