tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane

C22H38N2OSi — CID 140891524

IUPACtert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane
SMILESCC1CCN(C(c2cccc(CO[Si](C)(C)C(C)(C)C)n2)C2CC2)CC1
InChIInChI=1S/C22H38N2OSi/c1-17-12-14-24(15-13-17)21(18-10-11-18)20-9-7-8-19(23-20)16-25-26(5,6)22(2,3)4/h7-9,17-18,21H,10-16H2,1-6H3
InChIKeyWLPZZDGDQYJOBI-UHFFFAOYSA-N
MW374.65 g/mol
LogP5.79
Rot. Bonds6

About tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane

tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane (PubChem CID 140891524) has the molecular formula C22H38N2OSi and a molecular weight of 374.65 g/mol. Its IUPAC name is tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane
PubChem CID140891524
Molecular FormulaC22H38N2OSi
Molecular Weight374.65 g/mol
Exact Mass374.28
IUPAC Nametert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane
SMILESCC1CCN(C(c2cccc(CO[Si](C)(C)C(C)(C)C)n2)C2CC2)CC1
InChIInChI=1S/C22H38N2OSi/c1-17-12-14-24(15-13-17)21(18-10-11-18)20-9-7-8-19(23-20)16-25-26(5,6)22(2,3)4/h7-9,17-18,21H,10-16H2,1-6H3
InChIKeyWLPZZDGDQYJOBI-UHFFFAOYSA-N
XLogP5.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane (CID 140891524) is tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane is CC1CCN(C(c2cccc(CO[Si](C)(C)C(C)(C)C)n2)C2CC2)CC1.
What is the InChIKey of tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane?
The InChIKey is WLPZZDGDQYJOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2OSi/c1-17-12-14-24(15-13-17)21(18-10-11-18)20-9-7-8-19(23-20)16-25-26(5,6)22(2,3)4/h7-9,17-18,21H,10-16H2,1-6H3.
What are the key properties of tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane?
tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane has a molecular weight of 374.65 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-[cyclopropyl-(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methoxy]-dimethylsilane is sourced from PubChem (CID 140891524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).