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

C11H23BrN2O — CID 104649772

IUPAC1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
SMILESCOCCCCN1CCN(CCBr)CC1
InChIInChI=1S/C11H23BrN2O/c1-15-11-3-2-5-13-7-9-14(6-4-12)10-8-13/h2-11H2,1H3
InChIKeyZFESAIZJAYOTFP-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.43
Rot. Bonds7

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

1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine (PubChem CID 104649772) has the molecular formula C11H23BrN2O and a molecular weight of 279.22 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
PubChem CID104649772
Molecular FormulaC11H23BrN2O
Molecular Weight279.22 g/mol
Exact Mass278.10
IUPAC Name1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine
SMILESCOCCCCN1CCN(CCBr)CC1
InChIInChI=1S/C11H23BrN2O/c1-15-11-3-2-5-13-7-9-14(6-4-12)10-8-13/h2-11H2,1H3
InChIKeyZFESAIZJAYOTFP-UHFFFAOYSA-N
XLogP1.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
1-(2-chloroethyl)-4-(4-methoxybutyl)piperazine
CID 104649698
ethane;4-(4-methoxybutyl)thiomorpholine
CID 143134021
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
1-(4-methoxybutyl)-4-[3-(4-methylpiperazin-1-yl)propoxy]piperazine
CID 135180480
1-(2-bromoethyl)-4-pentyl-1,4-diazepane
CID 80668234
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine?
The IUPAC name of 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine (CID 104649772) is 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine.
What is the SMILES notation for 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine?
The canonical SMILES for 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine is COCCCCN1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine?
The InChIKey is ZFESAIZJAYOTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O/c1-15-11-3-2-5-13-7-9-14(6-4-12)10-8-13/h2-11H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine?
1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine has a molecular weight of 279.22 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-(4-methoxybutyl)piperazine is sourced from PubChem (CID 104649772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).