(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol

C8H15F2NO — CID 167042420

IUPAC(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol
SMILESCC1CC(F)(F)CN(C)C1CO
InChIInChI=1S/C8H15F2NO/c1-6-3-8(9,10)5-11(2)7(6)4-12/h6-7,12H,3-5H2,1-2H3
InChIKeyQJMGQXJXCAHSKR-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds1

About (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol

(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol (PubChem CID 167042420) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol
PubChem CID167042420
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol
SMILESCC1CC(F)(F)CN(C)C1CO
InChIInChI=1S/C8H15F2NO/c1-6-3-8(9,10)5-11(2)7(6)4-12/h6-7,12H,3-5H2,1-2H3
InChIKeyQJMGQXJXCAHSKR-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol?
The IUPAC name of (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol (CID 167042420) is (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol.
What is the SMILES notation for (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol?
The canonical SMILES for (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol is CC1CC(F)(F)CN(C)C1CO.
What is the InChIKey of (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol?
The InChIKey is QJMGQXJXCAHSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-3-8(9,10)5-11(2)7(6)4-12/h6-7,12H,3-5H2,1-2H3.
What are the key properties of (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol?
(5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-1,3-dimethylpiperidin-2-yl)methanol is sourced from PubChem (CID 167042420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).