1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol

C19H22F2N2O2 — CID 111824397

IUPAC1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(COc2ccccn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O2/c20-16-5-4-15(11-17(16)21)18(24)12-23-9-6-14(7-10-23)13-25-19-3-1-2-8-22-19/h1-5,8,11,14,18,24H,6-7,9-10,12-13H2
InChIKeySBGBBDXYPAWCFP-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.18
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol

1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol (PubChem CID 111824397) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol
PubChem CID111824397
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(COc2ccccn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O2/c20-16-5-4-15(11-17(16)21)18(24)12-23-9-6-14(7-10-23)13-25-19-3-1-2-8-22-19/h1-5,8,11,14,18,24H,6-7,9-10,12-13H2
InChIKeySBGBBDXYPAWCFP-UHFFFAOYSA-N
XLogP3.18
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol (CID 111824397) is 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol is OC(CN1CCC(COc2ccccn2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol?
The InChIKey is SBGBBDXYPAWCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-16-5-4-15(11-17(16)21)18(24)12-23-9-6-14(7-10-23)13-25-19-3-1-2-8-22-19/h1-5,8,11,14,18,24H,6-7,9-10,12-13H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol?
1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol has a molecular weight of 348.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111824397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).