4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol

C13H23F2NO — CID 114224450

IUPAC4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2NO/c1-16-7-5-12(17,6-8-16)9-11-3-2-4-13(14,15)10-11/h11,17H,2-10H2,1H3
InChIKeyJPSNKPLVDXYGNE-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds2

About 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol

4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 114224450) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol
PubChem CID114224450
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CC2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2NO/c1-16-7-5-12(17,6-8-16)9-11-3-2-4-13(14,15)10-11/h11,17H,2-10H2,1H3
InChIKeyJPSNKPLVDXYGNE-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol (CID 114224450) is 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(CC2CCCC(F)(F)C2)CC1.
What is the InChIKey of 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is JPSNKPLVDXYGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-16-7-5-12(17,6-8-16)9-11-3-2-4-13(14,15)10-11/h11,17H,2-10H2,1H3.
What are the key properties of 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol?
4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-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 4-[(3,3-difluorocyclohexyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 114224450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).