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

C13H23F2NO — CID 114225055

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CC2CCCC(F)(F)C2)CCC1O
InChIInChI=1S/C13H23F2NO/c1-10-8-16(6-4-12(10)17)9-11-3-2-5-13(14,15)7-11/h10-12,17H,2-9H2,1H3
InChIKeyUQPIXBXUCJPUSK-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.51
Rot. Bonds2

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

1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114225055) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114225055
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CC2CCCC(F)(F)C2)CCC1O
InChIInChI=1S/C13H23F2NO/c1-10-8-16(6-4-12(10)17)9-11-3-2-5-13(14,15)7-11/h10-12,17H,2-9H2,1H3
InChIKeyUQPIXBXUCJPUSK-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1-Fluoroethyl)piperidin-1-yl]propan-1-ol
CID 67281682
2,2,6,6-Tetramethyl-1-(2,2,2-trifluoro-ethyl)-piperidin-4-ol
CID 68830384
1-(1-Ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 89584678
1-Tert-butyl-3-(trifluoromethyl)piperidin-4-ol
CID 90176901
1-(3,3-Difluoro-2-methylpropyl)piperidin-4-ol
CID 90419773
2,2,2-Trifluoro-1-(1-propylpiperidin-4-yl)ethanol
CID 112326754
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-ol
CID 118595143
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
1-[2-(4-Fluorocyclohexyl)ethyl]piperidin-4-ol
CID 140430826
Ethane;1-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 144326101

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol (CID 114225055) is 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol is CC1CN(CC2CCCC(F)(F)C2)CCC1O.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is UQPIXBXUCJPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-10-8-16(6-4-12(10)17)9-11-3-2-5-13(14,15)7-11/h10-12,17H,2-9H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol?
1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 247.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114225055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).