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

C9H17F2NO — CID 178173049

IUPAC5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CC(C)(O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)12-5-8(3,13)4-9(10,11)6-12/h7,13H,4-6H2,1-3H3
InChIKeyVERVDIRNPLOCII-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds1

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

5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol (PubChem CID 178173049) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
PubChem CID178173049
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CC(C)(O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)12-5-8(3,13)4-9(10,11)6-12/h7,13H,4-6H2,1-3H3
InChIKeyVERVDIRNPLOCII-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol
CID 176594040
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
CID 159310583
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 168906490
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 157033147
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159989792

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol (CID 178173049) is 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol is 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?
The InChIKey is VERVDIRNPLOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)12-5-8(3,13)4-9(10,11)6-12/h7,13H,4-6H2,1-3H3.
What are the key properties of 5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol has a molecular weight of 193.24 g/mol, XLogP of 1.49, 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 is sourced from PubChem (CID 178173049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).