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

C8H15F2NO — CID 59442710

IUPAC3,3-difluoro-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-3-7(12)8(9,10)5-11/h6-7,12H,3-5H2,1-2H3
InChIKeyAKZIHBNECWFLAG-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds1

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

3,3-difluoro-1-propan-2-ylpiperidin-4-ol (PubChem CID 59442710) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylpiperidin-4-ol
PubChem CID59442710
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-4-3-7(12)8(9,10)5-11/h6-7,12H,3-5H2,1-2H3
InChIKeyAKZIHBNECWFLAG-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 3,3-difluoro-1-propan-2-ylpiperidin-4-ol (CID 59442710) is 3,3-difluoro-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylpiperidin-4-ol?
The InChIKey is AKZIHBNECWFLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-4-3-7(12)8(9,10)5-11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylpiperidin-4-ol?
3,3-difluoro-1-propan-2-ylpiperidin-4-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 59442710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).