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

C12H21F2NO — CID 165498250

IUPAC3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N1CCCC(F)(F)C1
InChIInChI=1S/C12H21F2NO/c1-9-3-4-10(16)7-11(9)15-6-2-5-12(13,14)8-15/h9-11,16H,2-8H2,1H3
InChIKeyDAYMZUVCWXVHGV-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.27
Rot. Bonds1

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

3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol (PubChem CID 165498250) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol
PubChem CID165498250
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N1CCCC(F)(F)C1
InChIInChI=1S/C12H21F2NO/c1-9-3-4-10(16)7-11(9)15-6-2-5-12(13,14)8-15/h9-11,16H,2-8H2,1H3
InChIKeyDAYMZUVCWXVHGV-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-Methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 155302769
1,2-Dimethylpiperidin-4-ol;trifluoromethylcyclohexane
CID 155721197
4-Methyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 65531752
4-Methyl-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 65531757
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
4-[(4,4-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991245
4-[(3,3-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991364
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
rel-(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethyl-4-piperidinol
CID 137343868

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol (CID 165498250) is 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol is CC1CCC(O)CC1N1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol?
The InChIKey is DAYMZUVCWXVHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-9-3-4-10(16)7-11(9)15-6-2-5-12(13,14)8-15/h9-11,16H,2-8H2,1H3.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol?
3-(3,3-difluoropiperidin-1-yl)-4-methylcyclohexan-1-ol has a molecular weight of 233.30 g/mol, XLogP of 2.27, 1 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-methylcyclohexan-1-ol is sourced from PubChem (CID 165498250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).