[3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol

C9H17F2NO — CID 67126485

IUPAC[3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol
SMILESCC(C(F)F)C1CNCCC1CO
InChIInChI=1S/C9H17F2NO/c1-6(9(10)11)8-4-12-3-2-7(8)5-13/h6-9,12-13H,2-5H2,1H3
InChIKeyJKNIZDZBLMSGPH-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.11
Rot. Bonds3

About [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol

[3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol (PubChem CID 67126485) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol
PubChem CID67126485
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol
SMILESCC(C(F)F)C1CNCCC1CO
InChIInChI=1S/C9H17F2NO/c1-6(9(10)11)8-4-12-3-2-7(8)5-13/h6-9,12-13H,2-5H2,1H3
InChIKeyJKNIZDZBLMSGPH-UHFFFAOYSA-N
XLogP1.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol (CID 67126485) is [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol is CC(C(F)F)C1CNCCC1CO.
What is the InChIKey of [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol?
The InChIKey is JKNIZDZBLMSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(9(10)11)8-4-12-3-2-7(8)5-13/h6-9,12-13H,2-5H2,1H3.
What are the key properties of [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol?
[3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-difluoropropan-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 67126485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).