1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone

C11H14BrN3O2 — CID 167825204

IUPAC1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C11H14BrN3O2/c12-9-2-1-3-13-11(9)15-6-4-14(5-7-15)10(17)8-16/h1-3,16H,4-8H2
InChIKeyFIEPIDPBGXIUEM-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.49
Rot. Bonds2

About 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone

1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone (PubChem CID 167825204) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
PubChem CID167825204
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(c2ncccc2Br)CC1
InChIInChI=1S/C11H14BrN3O2/c12-9-2-1-3-13-11(9)15-6-4-14(5-7-15)10(17)8-16/h1-3,16H,4-8H2
InChIKeyFIEPIDPBGXIUEM-UHFFFAOYSA-N
XLogP0.49
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 167864495
1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
CID 69227330
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938
1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 55116545
[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 67136498
[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166600752
1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone
CID 167914587
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone (CID 167825204) is 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCN(c2ncccc2Br)CC1.
What is the InChIKey of 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is FIEPIDPBGXIUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-2-1-3-13-11(9)15-6-4-14(5-7-15)10(17)8-16/h1-3,16H,4-8H2.
What are the key properties of 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone?
1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 300.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 167825204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).