5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane

C11H23F2NO — CID 178173048

IUPAC5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane
SMILESCC.CC(C)N1CC(C)(O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO.C2H6/c1-7(2)12-5-8(3,13)4-9(10,11)6-12;1-2/h7,13H,4-6H2,1-3H3;1-2H3
InChIKeyXENKRTOUSUULIQ-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.51
Rot. Bonds1

About 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane

5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane (PubChem CID 178173048) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane
PubChem CID178173048
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane
SMILESCC.CC(C)N1CC(C)(O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO.C2H6/c1-7(2)12-5-8(3,13)4-9(10,11)6-12;1-2/h7,13H,4-6H2,1-3H3;1-2H3
InChIKeyXENKRTOUSUULIQ-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 58386313
1-Tert-butyl-3-(trifluoromethyl)piperidin-3-ol
CID 59539743
4-(Difluoromethyl)-1-propan-2-ylpiperidin-4-ol
CID 80605094
3-(Difluoromethyl)-1-methylpiperidin-3-ol
CID 81713059
1,1,1-Trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 83983137
1-Ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-Methyl-3-(trifluoromethyl)piperidin-3-ol
CID 89751445
4-Fluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 126655208
4-Fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol
CID 126672242
4-Fluoro-1,3-dimethylpiperidin-3-ol
CID 126672243
1-Propan-2-yl-3-(trifluoromethyl)piperidin-3-ol
CID 129119612
(2R)-1,1,1-trifluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
CID 129298756

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane?
The IUPAC name of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane (CID 178173048) is 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane.
What is the SMILES notation for 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane?
The canonical SMILES for 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane is CC.CC(C)N1CC(C)(O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane?
The InChIKey is XENKRTOUSUULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.C2H6/c1-7(2)12-5-8(3,13)4-9(10,11)6-12;1-2/h7,13H,4-6H2,1-3H3;1-2H3.
What are the key properties of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane?
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane has a molecular weight of 223.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol;ethane is sourced from PubChem (CID 178173048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).