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

C8H15F2NO — CID 62020075

IUPAC[1-(2,2-difluoroethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)5-11-3-1-7(6-12)2-4-11/h7-8,12H,1-6H2
InChIKeyFWNKYKFYKWRXJL-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds3

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

[1-(2,2-difluoroethyl)piperidin-4-yl]methanol (PubChem CID 62020075) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)piperidin-4-yl]methanol
PubChem CID62020075
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[1-(2,2-difluoroethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)5-11-3-1-7(6-12)2-4-11/h7-8,12H,1-6H2
InChIKeyFWNKYKFYKWRXJL-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 [1-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]methanol (CID 62020075) is [1-(2,2-difluoroethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)piperidin-4-yl]methanol is OCC1CCN(CC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethyl)piperidin-4-yl]methanol?
The InChIKey is FWNKYKFYKWRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)5-11-3-1-7(6-12)2-4-11/h7-8,12H,1-6H2.
What are the key properties of [1-(2,2-difluoroethyl)piperidin-4-yl]methanol?
[1-(2,2-difluoroethyl)piperidin-4-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 62020075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).