tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane

C18H33N3OSi — CID 168728213

IUPACtert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane
SMILESCN1CCN(Cc2cccc(CO[Si](C)(C)C(C)(C)C)n2)CC1
InChIInChI=1S/C18H33N3OSi/c1-18(2,3)23(5,6)22-15-17-9-7-8-16(19-17)14-21-12-10-20(4)11-13-21/h7-9H,10-15H2,1-6H3
InChIKeyPJTROAZJAOSWSU-UHFFFAOYSA-N
MW335.57 g/mol
LogP3.35
Rot. Bonds5

About tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane

tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane (PubChem CID 168728213) has the molecular formula C18H33N3OSi and a molecular weight of 335.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane
PubChem CID168728213
Molecular FormulaC18H33N3OSi
Molecular Weight335.57 g/mol
Exact Mass335.24
IUPAC Nametert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane
SMILESCN1CCN(Cc2cccc(CO[Si](C)(C)C(C)(C)C)n2)CC1
InChIInChI=1S/C18H33N3OSi/c1-18(2,3)23(5,6)22-15-17-9-7-8-16(19-17)14-21-12-10-20(4)11-13-21/h7-9H,10-15H2,1-6H3
InChIKeyPJTROAZJAOSWSU-UHFFFAOYSA-N
XLogP3.35
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane (CID 168728213) is tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane is CN1CCN(Cc2cccc(CO[Si](C)(C)C(C)(C)C)n2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane?
The InChIKey is PJTROAZJAOSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3OSi/c1-18(2,3)23(5,6)22-15-17-9-7-8-16(19-17)14-21-12-10-20(4)11-13-21/h7-9H,10-15H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane?
tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane has a molecular weight of 335.57 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methoxy]silane is sourced from PubChem (CID 168728213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).