diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane

C17H30N2Si — CID 58332300

IUPACdiethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane
SMILESCC[Si](C)(CC)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H30N2Si/c1-5-20(4,6-2)17-9-7-16(8-10-17)15-19-13-11-18(3)12-14-19/h7-10H,5-6,11-15H2,1-4H3
InChIKeyITCFNNDKGSIQEN-UHFFFAOYSA-N
MW290.53 g/mol
LogP2.76
Rot. Bonds5

About diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane

diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane (PubChem CID 58332300) has the molecular formula C17H30N2Si and a molecular weight of 290.53 g/mol. Its IUPAC name is diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane.

Molecular Properties

Compound Namediethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane
PubChem CID58332300
Molecular FormulaC17H30N2Si
Molecular Weight290.53 g/mol
Exact Mass290.22
IUPAC Namediethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane
SMILESCC[Si](C)(CC)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H30N2Si/c1-5-20(4,6-2)17-9-7-16(8-10-17)15-19-13-11-18(3)12-14-19/h7-10H,5-6,11-15H2,1-4H3
InChIKeyITCFNNDKGSIQEN-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 52.76
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 diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane?
The IUPAC name of diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane (CID 58332300) is diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane.
What is the SMILES notation for diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane?
The canonical SMILES for diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane is CC[Si](C)(CC)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane?
The InChIKey is ITCFNNDKGSIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2Si/c1-5-20(4,6-2)17-9-7-16(8-10-17)15-19-13-11-18(3)12-14-19/h7-10H,5-6,11-15H2,1-4H3.
What are the key properties of diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane?
diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane has a molecular weight of 290.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane is sourced from PubChem (CID 58332300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).