(4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone

C12H13BrFNO — CID 177335461

IUPAC(4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(Br)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H13BrFNO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2
InChIKeyBGXXUIWKORAYML-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.77
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone

(4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone (PubChem CID 177335461) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone
PubChem CID177335461
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name(4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone
SMILESO=C(c1ccc(Br)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H13BrFNO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2
InChIKeyBGXXUIWKORAYML-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone (CID 177335461) is (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone is O=C(c1ccc(Br)c(F)c1)C1CCNCC1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone?
The InChIKey is BGXXUIWKORAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-10-2-1-9(7-11(10)14)12(16)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2.
What are the key properties of (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone?
(4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone has a molecular weight of 286.14 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 177335461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).