2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone

C10H19BrN2O — CID 63680684

IUPAC2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
SMILESCC(C)(C)N1CCN(C(=O)CBr)CC1
InChIInChI=1S/C10H19BrN2O/c1-10(2,3)13-6-4-12(5-7-13)9(14)8-11/h4-8H2,1-3H3
InChIKeyNEKROOYYBNCVAW-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.32
Rot. Bonds1

About 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone

2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone (PubChem CID 63680684) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
PubChem CID63680684
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
SMILESCC(C)(C)N1CCN(C(=O)CBr)CC1
InChIInChI=1S/C10H19BrN2O/c1-10(2,3)13-6-4-12(5-7-13)9(14)8-11/h4-8H2,1-3H3
InChIKeyNEKROOYYBNCVAW-UHFFFAOYSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
2-bromo-1-(4-methylpiperazin-1-yl)ethanone;chloromethane
CID 161165311
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
[4-(2-bromoacetyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174607593
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
CID 79191284
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
1-(4-tert-butylpiperazin-1-yl)-5-chloropentan-1-one
CID 61430483
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
CID 81087242
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone?
The IUPAC name of 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone (CID 63680684) is 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone is CC(C)(C)N1CCN(C(=O)CBr)CC1.
What is the InChIKey of 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone?
The InChIKey is NEKROOYYBNCVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-10(2,3)13-6-4-12(5-7-13)9(14)8-11/h4-8H2,1-3H3.
What are the key properties of 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone?
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone has a molecular weight of 263.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63680684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).