1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol

C8H15F2NO — CID 103898276

IUPAC1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(CC(F)F)CC1O
InChIInChI=1S/C8H15F2NO/c1-6-2-3-11(4-7(6)12)5-8(9)10/h6-8,12H,2-5H2,1H3
InChIKeyBLSHKVOJLLZYLV-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.95
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol

1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol (PubChem CID 103898276) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol
PubChem CID103898276
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(CC(F)F)CC1O
InChIInChI=1S/C8H15F2NO/c1-6-2-3-11(4-7(6)12)5-8(9)10/h6-8,12H,2-5H2,1H3
InChIKeyBLSHKVOJLLZYLV-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.95
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)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol (CID 103898276) is 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol is CC1CCN(CC(F)F)CC1O.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol?
The InChIKey is BLSHKVOJLLZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-2-3-11(4-7(6)12)5-8(9)10/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol?
1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol has a molecular weight of 179.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 103898276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).