1-(4-bromobutyl)-4-ethylpiperazine

C10H21BrN2 — CID 61287528

IUPAC1-(4-bromobutyl)-4-ethylpiperazine
SMILESCCN1CCN(CCCCBr)CC1
InChIInChI=1S/C10H21BrN2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-10H2,1H3
InChIKeyQAFFEQKCEQRFGX-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-bromobutyl)-4-ethylpiperazine

1-(4-bromobutyl)-4-ethylpiperazine (PubChem CID 61287528) has the molecular formula C10H21BrN2 and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-(4-bromobutyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(4-bromobutyl)-4-ethylpiperazine
PubChem CID61287528
Molecular FormulaC10H21BrN2
Molecular Weight249.20 g/mol
Exact Mass248.09
IUPAC Name1-(4-bromobutyl)-4-ethylpiperazine
SMILESCCN1CCN(CCCCBr)CC1
InChIInChI=1S/C10H21BrN2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-10H2,1H3
InChIKeyQAFFEQKCEQRFGX-UHFFFAOYSA-N
XLogP1.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)-4-ethylpiperazine?
The IUPAC name of 1-(4-bromobutyl)-4-ethylpiperazine (CID 61287528) is 1-(4-bromobutyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(4-bromobutyl)-4-ethylpiperazine?
The canonical SMILES for 1-(4-bromobutyl)-4-ethylpiperazine is CCN1CCN(CCCCBr)CC1.
What is the InChIKey of 1-(4-bromobutyl)-4-ethylpiperazine?
The InChIKey is QAFFEQKCEQRFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-10H2,1H3.
What are the key properties of 1-(4-bromobutyl)-4-ethylpiperazine?
1-(4-bromobutyl)-4-ethylpiperazine has a molecular weight of 249.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-4-ethylpiperazine is sourced from PubChem (CID 61287528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).