2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

C11H15BrN2O2 — CID 63680467

IUPAC2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CBr)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C11H15BrN2O2/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2
InChIKeyAORQXQCWMCVVDY-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.32
Rot. Bonds3

About 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 63680467) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID63680467
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CBr)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C11H15BrN2O2/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2
InChIKeyAORQXQCWMCVVDY-UHFFFAOYSA-N
XLogP1.32
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
1-[4-(furan-2-ylmethyl)piperazin-1-yl]nonane-1,8-dione
CID 75394752
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60939107
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 84585261
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 51305771
(E)-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 54874934
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
2-(3-amino-1,2,4-triazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 61113519
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (CID 63680467) is 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CBr)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is AORQXQCWMCVVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-8-11(15)14-5-3-13(4-6-14)9-10-2-1-7-16-10/h1-2,7H,3-6,8-9H2.
What are the key properties of 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 287.16 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 63680467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).