5,5-difluoro-1-methylpiperidin-3-ol

C6H11F2NO — CID 130890639

IUPAC5,5-difluoro-1-methylpiperidin-3-ol
SMILESCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-9-3-5(10)2-6(7,8)4-9/h5,10H,2-4H2,1H3
InChIKeyIBLJZQNVLGOWBG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.32
Rot. Bonds

About 5,5-difluoro-1-methylpiperidin-3-ol

5,5-difluoro-1-methylpiperidin-3-ol (PubChem CID 130890639) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 5,5-difluoro-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name5,5-difluoro-1-methylpiperidin-3-ol
PubChem CID130890639
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name5,5-difluoro-1-methylpiperidin-3-ol
SMILESCN1CC(O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-9-3-5(10)2-6(7,8)4-9/h5,10H,2-4H2,1H3
InChIKeyIBLJZQNVLGOWBG-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
CID 162620550
5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol
CID 131176139
(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703
ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 177317918
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
CID 122608330
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
(4R,5R)-8,8-difluoro-2,4,5-trimethyl-3,4,5,7,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 177262036
(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
CID 122456427

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-methylpiperidin-3-ol?
The IUPAC name of 5,5-difluoro-1-methylpiperidin-3-ol (CID 130890639) is 5,5-difluoro-1-methylpiperidin-3-ol.
What is the SMILES notation for 5,5-difluoro-1-methylpiperidin-3-ol?
The canonical SMILES for 5,5-difluoro-1-methylpiperidin-3-ol is CN1CC(O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-methylpiperidin-3-ol?
The InChIKey is IBLJZQNVLGOWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-9-3-5(10)2-6(7,8)4-9/h5,10H,2-4H2,1H3.
What are the key properties of 5,5-difluoro-1-methylpiperidin-3-ol?
5,5-difluoro-1-methylpiperidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-methylpiperidin-3-ol is sourced from PubChem (CID 130890639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).