2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride

C16H19Cl2N3 — CID 3060451

IUPAC2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride
SMILESCN1CCN(C2=Nc3cccc4cccc2c34)CC1.Cl.Cl
InChIInChI=1S/C16H17N3.2ClH/c1-18-8-10-19(11-9-18)16-13-6-2-4-12-5-3-7-14(17-16)15(12)13;;/h2-7H,8-11H2,1H3;2*1H
InChIKeyCLVOQQPNPPRXMP-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.32
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride

2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride (PubChem CID 3060451) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride
PubChem CID3060451
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride
SMILESCN1CCN(C2=Nc3cccc4cccc2c34)CC1.Cl.Cl
InChIInChI=1S/C16H17N3.2ClH/c1-18-8-10-19(11-9-18)16-13-6-2-4-12-5-3-7-14(17-16)15(12)13;;/h2-7H,8-11H2,1H3;2*1H
InChIKeyCLVOQQPNPPRXMP-UHFFFAOYSA-N
XLogP3.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride (CID 3060451) is 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride is CN1CCN(C2=Nc3cccc4cccc2c34)CC1.Cl.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride?
The InChIKey is CLVOQQPNPPRXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.2ClH/c1-18-8-10-19(11-9-18)16-13-6-2-4-12-5-3-7-14(17-16)15(12)13;;/h2-7H,8-11H2,1H3;2*1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride?
2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride has a molecular weight of 324.25 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)benzo[cd]indole;dihydrochloride is sourced from PubChem (CID 3060451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).