2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol

C13H16BrF2NO — CID 165371490

IUPAC2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C13H16BrF2NO/c14-10-7-11(15)13(12(16)8-10)17-4-1-9(2-5-17)3-6-18/h7-9,18H,1-6H2
InChIKeyJNCXXNDCRQWTDK-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.33
Rot. Bonds3

About 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol

2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol (PubChem CID 165371490) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol
PubChem CID165371490
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C13H16BrF2NO/c14-10-7-11(15)13(12(16)8-10)17-4-1-9(2-5-17)3-6-18/h7-9,18H,1-6H2
InChIKeyJNCXXNDCRQWTDK-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol (CID 165371490) is 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol is OCCC1CCN(c2c(F)cc(Br)cc2F)CC1.
What is the InChIKey of 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol?
The InChIKey is JNCXXNDCRQWTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c14-10-7-11(15)13(12(16)8-10)17-4-1-9(2-5-17)3-6-18/h7-9,18H,1-6H2.
What are the key properties of 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol?
2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol has a molecular weight of 320.18 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 165371490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).