methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride

C21H32Cl2N2Si — CID 3050471

IUPACmethyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride
SMILESCN1CCN(CCC[Si](C)(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H30N2Si.2ClH/c1-22-15-17-23(18-16-22)14-9-19-24(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21;;/h3-8,10-13H,9,14-19H2,1-2H3;2*1H
InChIKeyWVIUXKXNOOETRU-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.36
Rot. Bonds6

About methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride

methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride (PubChem CID 3050471) has the molecular formula C21H32Cl2N2Si and a molecular weight of 411.49 g/mol. Its IUPAC name is methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride.

Molecular Properties

Compound Namemethyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride
PubChem CID3050471
Molecular FormulaC21H32Cl2N2Si
Molecular Weight411.49 g/mol
Exact Mass410.17
IUPAC Namemethyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride
SMILESCN1CCN(CCC[Si](C)(c2ccccc2)c2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C21H30N2Si.2ClH/c1-22-15-17-23(18-16-22)14-9-19-24(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21;;/h3-8,10-13H,9,14-19H2,1-2H3;2*1H
InChIKeyWVIUXKXNOOETRU-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride?
The IUPAC name of methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride (CID 3050471) is methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride.
What is the SMILES notation for methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride?
The canonical SMILES for methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride is CN1CCN(CCC[Si](C)(c2ccccc2)c2ccccc2)CC1.Cl.Cl.
What is the InChIKey of methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride?
The InChIKey is WVIUXKXNOOETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2Si.2ClH/c1-22-15-17-23(18-16-22)14-9-19-24(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21;;/h3-8,10-13H,9,14-19H2,1-2H3;2*1H.
What are the key properties of methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride?
methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride has a molecular weight of 411.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(4-methylpiperazin-1-yl)propyl]-diphenylsilane;dihydrochloride is sourced from PubChem (CID 3050471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).