3-(5-bromo-2-fluorophenyl)piperidin-3-ol

C11H13BrFNO — CID 79743505

IUPAC3-(5-bromo-2-fluorophenyl)piperidin-3-ol
SMILESOC1(c2cc(Br)ccc2F)CCCNC1
InChIInChI=1S/C11H13BrFNO/c12-8-2-3-10(13)9(6-8)11(15)4-1-5-14-7-11/h2-3,6,14-15H,1,4-5,7H2
InChIKeyXAGPIGRPBQNPAR-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.16
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)piperidin-3-ol

3-(5-bromo-2-fluorophenyl)piperidin-3-ol (PubChem CID 79743505) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)piperidin-3-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)piperidin-3-ol
PubChem CID79743505
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-(5-bromo-2-fluorophenyl)piperidin-3-ol
SMILESOC1(c2cc(Br)ccc2F)CCCNC1
InChIInChI=1S/C11H13BrFNO/c12-8-2-3-10(13)9(6-8)11(15)4-1-5-14-7-11/h2-3,6,14-15H,1,4-5,7H2
InChIKeyXAGPIGRPBQNPAR-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)piperidin-3-ol?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)piperidin-3-ol (CID 79743505) is 3-(5-bromo-2-fluorophenyl)piperidin-3-ol.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)piperidin-3-ol?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)piperidin-3-ol is OC1(c2cc(Br)ccc2F)CCCNC1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)piperidin-3-ol?
The InChIKey is XAGPIGRPBQNPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-8-2-3-10(13)9(6-8)11(15)4-1-5-14-7-11/h2-3,6,14-15H,1,4-5,7H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)piperidin-3-ol?
3-(5-bromo-2-fluorophenyl)piperidin-3-ol has a molecular weight of 274.13 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)piperidin-3-ol is sourced from PubChem (CID 79743505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).