1-(3-bromo-5-fluorophenyl)piperidin-4-ol

C11H13BrFNO — CID 59588084

IUPAC1-(3-bromo-5-fluorophenyl)piperidin-4-ol
SMILESOC1CCN(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C11H13BrFNO/c12-8-5-9(13)7-10(6-8)14-3-1-11(15)2-4-14/h5-7,11,15H,1-4H2
InChIKeyFEVHZIAJTALKGV-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.55
Rot. Bonds1

About 1-(3-bromo-5-fluorophenyl)piperidin-4-ol

1-(3-bromo-5-fluorophenyl)piperidin-4-ol (PubChem CID 59588084) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)piperidin-4-ol
PubChem CID59588084
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name1-(3-bromo-5-fluorophenyl)piperidin-4-ol
SMILESOC1CCN(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C11H13BrFNO/c12-8-5-9(13)7-10(6-8)14-3-1-11(15)2-4-14/h5-7,11,15H,1-4H2
InChIKeyFEVHZIAJTALKGV-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)piperidin-4-ol (CID 59588084) is 1-(3-bromo-5-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)piperidin-4-ol is OC1CCN(c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)piperidin-4-ol?
The InChIKey is FEVHZIAJTALKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-8-5-9(13)7-10(6-8)14-3-1-11(15)2-4-14/h5-7,11,15H,1-4H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)piperidin-4-ol?
1-(3-bromo-5-fluorophenyl)piperidin-4-ol has a molecular weight of 274.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 59588084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).