3,3-difluoro-4-methylpiperidin-4-ol

C6H11F2NO — CID 156550387

IUPAC3,3-difluoro-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)2-3-9-4-6(5,7)8/h9-10H,2-4H2,1H3
InChIKeyWBACXXUETCSNKQ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.37
Rot. Bonds

About 3,3-difluoro-4-methylpiperidin-4-ol

3,3-difluoro-4-methylpiperidin-4-ol (PubChem CID 156550387) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,3-difluoro-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3,3-difluoro-4-methylpiperidin-4-ol
PubChem CID156550387
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3,3-difluoro-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1(F)F
InChIInChI=1S/C6H11F2NO/c1-5(10)2-3-9-4-6(5,7)8/h9-10H,2-4H2,1H3
InChIKeyWBACXXUETCSNKQ-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
ethane;4-fluoro-4-methylpiperidine
CID 142139578
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 155895873
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
(3R)-3-fluoro-3-methylazepane
CID 124708989
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
2,7-diazaspiro[3.4]octane;ethane
CID 143687523

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylpiperidin-4-ol?
The IUPAC name of 3,3-difluoro-4-methylpiperidin-4-ol (CID 156550387) is 3,3-difluoro-4-methylpiperidin-4-ol.
What is the SMILES notation for 3,3-difluoro-4-methylpiperidin-4-ol?
The canonical SMILES for 3,3-difluoro-4-methylpiperidin-4-ol is CC1(O)CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylpiperidin-4-ol?
The InChIKey is WBACXXUETCSNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(10)2-3-9-4-6(5,7)8/h9-10H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-4-methylpiperidin-4-ol?
3,3-difluoro-4-methylpiperidin-4-ol has a molecular weight of 151.16 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylpiperidin-4-ol is sourced from PubChem (CID 156550387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).