1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol

C16H24F2N2O — CID 107163546

IUPAC1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol
SMILESCN1CCC(C)(CNCC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H24F2N2O/c1-16(6-8-20(2)9-7-16)11-19-10-14(21)15-12(17)4-3-5-13(15)18/h3-5,14,19,21H,6-11H2,1-2H3
InChIKeyPBALNBMKBOZEDA-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.32
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol

1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol (PubChem CID 107163546) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol
PubChem CID107163546
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol
SMILESCN1CCC(C)(CNCC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H24F2N2O/c1-16(6-8-20(2)9-7-16)11-19-10-14(21)15-12(17)4-3-5-13(15)18/h3-5,14,19,21H,6-11H2,1-2H3
InChIKeyPBALNBMKBOZEDA-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68819

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol (CID 107163546) is 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol is CN1CCC(C)(CNCC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol?
The InChIKey is PBALNBMKBOZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-16(6-8-20(2)9-7-16)11-19-10-14(21)15-12(17)4-3-5-13(15)18/h3-5,14,19,21H,6-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol?
1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol has a molecular weight of 298.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol is sourced from PubChem (CID 107163546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).