1-[2-(bromomethyl)butyl]-4-ethylpiperazine

C11H23BrN2 — CID 65000720

IUPAC1-[2-(bromomethyl)butyl]-4-ethylpiperazine
SMILESCCC(CBr)CN1CCN(CC)CC1
InChIInChI=1S/C11H23BrN2/c1-3-11(9-12)10-14-7-5-13(4-2)6-8-14/h11H,3-10H2,1-2H3
InChIKeyMYVPNUSRDHKISA-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(bromomethyl)butyl]-4-ethylpiperazine

1-[2-(bromomethyl)butyl]-4-ethylpiperazine (PubChem CID 65000720) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)butyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(bromomethyl)butyl]-4-ethylpiperazine
PubChem CID65000720
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name1-[2-(bromomethyl)butyl]-4-ethylpiperazine
SMILESCCC(CBr)CN1CCN(CC)CC1
InChIInChI=1S/C11H23BrN2/c1-3-11(9-12)10-14-7-5-13(4-2)6-8-14/h11H,3-10H2,1-2H3
InChIKeyMYVPNUSRDHKISA-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-(bromomethyl)butyl]-4-ethylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)butyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(bromomethyl)butyl]-4-ethylpiperazine (CID 65000720) is 1-[2-(bromomethyl)butyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(bromomethyl)butyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(bromomethyl)butyl]-4-ethylpiperazine is CCC(CBr)CN1CCN(CC)CC1.
What is the InChIKey of 1-[2-(bromomethyl)butyl]-4-ethylpiperazine?
The InChIKey is MYVPNUSRDHKISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-3-11(9-12)10-14-7-5-13(4-2)6-8-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)butyl]-4-ethylpiperazine?
1-[2-(bromomethyl)butyl]-4-ethylpiperazine 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-(bromomethyl)butyl]-4-ethylpiperazine is sourced from PubChem (CID 65000720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).