1-(2-bromoethyl)-4-(2-methylbutyl)piperazine

C11H23BrN2 — CID 80674253

IUPAC1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CCN(CCBr)CC1
InChIInChI=1S/C11H23BrN2/c1-3-11(2)10-14-8-6-13(5-4-12)7-9-14/h11H,3-10H2,1-2H3
InChIKeyLZDGPBBGBPHMCL-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine

1-(2-bromoethyl)-4-(2-methylbutyl)piperazine (PubChem CID 80674253) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
PubChem CID80674253
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CCN(CCBr)CC1
InChIInChI=1S/C11H23BrN2/c1-3-11(2)10-14-8-6-13(5-4-12)7-9-14/h11H,3-10H2,1-2H3
InChIKeyLZDGPBBGBPHMCL-UHFFFAOYSA-N
XLogP2.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoethyl)-4-(2-methylbutyl)-1,4-diazepane
CID 80667299
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
CID 62104734
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
ethane;4-(2-methylbutyl)morpholine
CID 142525427
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
1-ethyl-3-(2-methylbutyl)imidazolidine
CID 140603347
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
1-(2-cyclobutyloxyethyl)-4-(2-methylbutyl)piperazine
CID 156794849
1-(2-methylbutyl)piperidin-4-one
CID 62105123
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine (CID 80674253) is 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine is CCC(C)CN1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine?
The InChIKey is LZDGPBBGBPHMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-3-11(2)10-14-8-6-13(5-4-12)7-9-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine?
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine has a molecular weight of 263.22 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(2-methylbutyl)piperazine is sourced from PubChem (CID 80674253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).