1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol

C13H23F2NO — CID 155302767

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO/c1-10-8-12(17)4-7-16(10)9-11-2-5-13(14,15)6-3-11/h10-12,17H,2-9H2,1H3
InChIKeyIONXVCQJNGLOEZ-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol

1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol (PubChem CID 155302767) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
PubChem CID155302767
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO/c1-10-8-12(17)4-7-16(10)9-11-2-5-13(14,15)6-3-11/h10-12,17H,2-9H2,1H3
InChIKeyIONXVCQJNGLOEZ-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 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol (CID 155302767) is 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CC1CCC(F)(F)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol?
The InChIKey is IONXVCQJNGLOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-10-8-12(17)4-7-16(10)9-11-2-5-13(14,15)6-3-11/h10-12,17H,2-9H2,1H3.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol?
1-[(4,4-difluorocyclohexyl)methyl]-2-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 1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).