[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol

C12H15BrFNO — CID 134580118

IUPAC[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2
InChIKeyJYPUMLIWCRXCJD-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.80
Rot. Bonds2

About [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol

[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol (PubChem CID 134580118) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol
PubChem CID134580118
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2
InChIKeyJYPUMLIWCRXCJD-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.80
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-fluorophenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol (CID 134580118) is [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol is OCC1CCN(c2ccc(Br)cc2F)CC1.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol?
The InChIKey is JYPUMLIWCRXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8H2.
What are the key properties of [1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol?
[1-(4-bromo-2-fluorophenyl)piperidin-4-yl]methanol has a molecular weight of 288.16 g/mol, XLogP of 2.80, 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-fluorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 134580118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).