3,3-difluoro-1-methylpiperidin-4-ol;ethane

C8H17F2NO — CID 164870168

IUPAC3,3-difluoro-1-methylpiperidin-4-ol;ethane
SMILESCC.CN1CCC(O)C(F)(F)C1
InChIInChI=1S/C6H11F2NO.C2H6/c1-9-3-2-5(10)6(7,8)4-9;1-2/h5,10H,2-4H2,1H3;1-2H3
InChIKeyRJXYDKKLJYRRTN-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.34
Rot. Bonds

About 3,3-difluoro-1-methylpiperidin-4-ol;ethane

3,3-difluoro-1-methylpiperidin-4-ol;ethane (PubChem CID 164870168) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-methylpiperidin-4-ol;ethane
PubChem CID164870168
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3,3-difluoro-1-methylpiperidin-4-ol;ethane
SMILESCC.CN1CCC(O)C(F)(F)C1
InChIInChI=1S/C6H11F2NO.C2H6/c1-9-3-2-5(10)6(7,8)4-9;1-2/h5,10H,2-4H2,1H3;1-2H3
InChIKeyRJXYDKKLJYRRTN-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
3,3-difluoro-1-hydroxypiperidin-4-ol
CID 134533922
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
CID 170578014
3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 176945899
(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 129270616
N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane
CID 142404443
O-(3,3-difluoro-1-methylpiperidin-4-yl) methylsulfanylmethanethioate
CID 122533022
3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
CID 178010503
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpiperidin-4-ol;ethane?
The IUPAC name of 3,3-difluoro-1-methylpiperidin-4-ol;ethane (CID 164870168) is 3,3-difluoro-1-methylpiperidin-4-ol;ethane.
What is the SMILES notation for 3,3-difluoro-1-methylpiperidin-4-ol;ethane?
The canonical SMILES for 3,3-difluoro-1-methylpiperidin-4-ol;ethane is CC.CN1CCC(O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpiperidin-4-ol;ethane?
The InChIKey is RJXYDKKLJYRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.C2H6/c1-9-3-2-5(10)6(7,8)4-9;1-2/h5,10H,2-4H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methylpiperidin-4-ol;ethane?
3,3-difluoro-1-methylpiperidin-4-ol;ethane has a molecular weight of 181.23 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpiperidin-4-ol;ethane is sourced from PubChem (CID 164870168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).