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

C12H14BrF2NO — CID 167463574

IUPAC[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C12H14BrF2NO/c13-9-5-10(14)12(11(15)6-9)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7H2
InChIKeyCAFUJAYHRCCYAP-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.94
Rot. Bonds2

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

[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol (PubChem CID 167463574) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol
PubChem CID167463574
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C12H14BrF2NO/c13-9-5-10(14)12(11(15)6-9)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7H2
InChIKeyCAFUJAYHRCCYAP-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol (CID 167463574) is [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol is OCC1CCN(c2c(F)cc(Br)cc2F)CC1.
What is the InChIKey of [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol?
The InChIKey is CAFUJAYHRCCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-9-5-10(14)12(11(15)6-9)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7H2.
What are the key properties of [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol?
[1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol has a molecular weight of 306.15 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2,6-difluorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 167463574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).