4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol

C9H17F2NO — CID 176740110

IUPAC4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCC(F)(F)C(C)(O)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)12-5-4-9(10,11)8(3,13)6-12/h7,13H,4-6H2,1-3H3
InChIKeyMEGCIQYWNGNCEL-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.49
Rot. Bonds1

About 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol

4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol (PubChem CID 176740110) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
PubChem CID176740110
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCC(F)(F)C(C)(O)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)12-5-4-9(10,11)8(3,13)6-12/h7,13H,4-6H2,1-3H3
InChIKeyMEGCIQYWNGNCEL-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

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 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol (CID 176740110) is 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol is CC(C)N1CCC(F)(F)C(C)(O)C1.
What is the InChIKey of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
The InChIKey is MEGCIQYWNGNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)12-5-4-9(10,11)8(3,13)6-12/h7,13H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol?
4,4-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 4,4-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 176740110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).