(4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol

C8H15F2NO — CID 171479001

IUPAC(4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol
SMILESCN1CCC(F)(F)C(C)(CO)C1
InChIInChI=1S/C8H15F2NO/c1-7(6-12)5-11(2)4-3-8(7,9)10/h12H,3-6H2,1-2H3
InChIKeyWIVCXMLYSSMOBV-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds1

About (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol

(4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol (PubChem CID 171479001) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol
PubChem CID171479001
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol
SMILESCN1CCC(F)(F)C(C)(CO)C1
InChIInChI=1S/C8H15F2NO/c1-7(6-12)5-11(2)4-3-8(7,9)10/h12H,3-6H2,1-2H3
InChIKeyWIVCXMLYSSMOBV-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol?
The IUPAC name of (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol (CID 171479001) is (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol is CN1CCC(F)(F)C(C)(CO)C1.
What is the InChIKey of (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol?
The InChIKey is WIVCXMLYSSMOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(6-12)5-11(2)4-3-8(7,9)10/h12H,3-6H2,1-2H3.
What are the key properties of (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol?
(4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol has a molecular weight of 179.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1,3-dimethylpiperidin-3-yl)methanol is sourced from PubChem (CID 171479001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).