1-(3-bromopropyl)-4-methylpiperazine;hydrobromide

C8H18Br2N2 — CID 5351831

IUPAC1-(3-bromopropyl)-4-methylpiperazine;hydrobromide
SMILESBr.CN1CCN(CCCBr)CC1
InChIInChI=1S/C8H17BrN2.BrH/c1-10-5-7-11(8-6-10)4-2-3-9;/h2-8H2,1H3;1H
InChIKeyKCYOYVPMBWCTJZ-UHFFFAOYSA-N
MW302.05 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide

1-(3-bromopropyl)-4-methylpiperazine;hydrobromide (PubChem CID 5351831) has the molecular formula C8H18Br2N2 and a molecular weight of 302.05 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-methylpiperazine;hydrobromide
PubChem CID5351831
Molecular FormulaC8H18Br2N2
Molecular Weight302.05 g/mol
Exact Mass299.98
IUPAC Name1-(3-bromopropyl)-4-methylpiperazine;hydrobromide
SMILESBr.CN1CCN(CCCBr)CC1
InChIInChI=1S/C8H17BrN2.BrH/c1-10-5-7-11(8-6-10)4-2-3-9;/h2-8H2,1H3;1H
InChIKeyKCYOYVPMBWCTJZ-UHFFFAOYSA-N
XLogP1.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide?
The IUPAC name of 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide (CID 5351831) is 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide.
What is the SMILES notation for 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide?
The canonical SMILES for 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide is Br.CN1CCN(CCCBr)CC1.
What is the InChIKey of 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide?
The InChIKey is KCYOYVPMBWCTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrN2.BrH/c1-10-5-7-11(8-6-10)4-2-3-9;/h2-8H2,1H3;1H.
What are the key properties of 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide?
1-(3-bromopropyl)-4-methylpiperazine;hydrobromide has a molecular weight of 302.05 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-methylpiperazine;hydrobromide is sourced from PubChem (CID 5351831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).