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

C8H15F2NO — CID 62022333

IUPAC[1-(2,2-difluoroethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)5-11-4-2-1-3-7(11)6-12/h7-8,12H,1-6H2
InChIKeyRAVAFHSNAUSWLE-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds3

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

[1-(2,2-difluoroethyl)piperidin-2-yl]methanol (PubChem CID 62022333) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)piperidin-2-yl]methanol
PubChem CID62022333
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[1-(2,2-difluoroethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)5-11-4-2-1-3-7(11)6-12/h7-8,12H,1-6H2
InChIKeyRAVAFHSNAUSWLE-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-piperidinemethanol
CID 89394
(R)-(1-Methylpiperidin-2-yl)methanol
CID 853004
(R)-(1-Methylpiperidin-2-yl)methanol
CID 853004
(5,5-Difluoro-1-methylpiperidin-2-yl)methanol
CID 55296927
(5,5-Difluoro-1-methylpiperidin-2-yl)methanol
CID 55296927
[(2S)-1-(prop-2-yn-1-yl)piperidin-2-yl]methanol
CID 130694078
(2S)-3,3,3-trifluoro-2-piperidin-1-ylpropan-1-ol
CID 135700155
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
(1-Tert-butyl-4,4-difluoropiperidin-2-yl)methanol
CID 89785271
2-[2-(Trifluoromethyl)piperidin-1-yl]ethanol
CID 91031576
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)piperidin-2-yl]methanol (CID 62022333) is [1-(2,2-difluoroethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)piperidin-2-yl]methanol is OCC1CCCCN1CC(F)F.
What is the InChIKey of [1-(2,2-difluoroethyl)piperidin-2-yl]methanol?
The InChIKey is RAVAFHSNAUSWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)5-11-4-2-1-3-7(11)6-12/h7-8,12H,1-6H2.
What are the key properties of [1-(2,2-difluoroethyl)piperidin-2-yl]methanol?
[1-(2,2-difluoroethyl)piperidin-2-yl]methanol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 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-2-yl]methanol is sourced from PubChem (CID 62022333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).