(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine

C29H54N2O6Si2 — CID 11250201

IUPAC(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine
SMILESCCO[Si](CCc1cccc(CC[Si](OCC)(OCC)OCC)c1/C(C)=N/N1CCCCC1)(OCC)OCC
InChIInChI=1S/C29H54N2O6Si2/c1-8-32-38(33-9-2,34-10-3)24-20-27-18-17-19-28(21-25-39(35-11-4,36-12-5)37-13-6)29(27)26(7)30-31-22-15-14-16-23-31/h17-19H,8-16,20-25H2,1-7H3/b30-26+
InChIKeyAJPOPBOEZGAAPC-URGPHPNLSA-N
MW582.93 g/mol
LogP6.08
Rot. Bonds20

About (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine

(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine (PubChem CID 11250201) has the molecular formula C29H54N2O6Si2 and a molecular weight of 582.93 g/mol. Its IUPAC name is (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine.

Molecular Properties

Compound Name(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine
PubChem CID11250201
Molecular FormulaC29H54N2O6Si2
Molecular Weight582.93 g/mol
Exact Mass582.35
IUPAC Name(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine
SMILESCCO[Si](CCc1cccc(CC[Si](OCC)(OCC)OCC)c1/C(C)=N/N1CCCCC1)(OCC)OCC
InChIInChI=1S/C29H54N2O6Si2/c1-8-32-38(33-9-2,34-10-3)24-20-27-18-17-19-28(21-25-39(35-11-4,36-12-5)37-13-6)29(27)26(7)30-31-22-15-14-16-23-31/h17-19H,8-16,20-25H2,1-7H3/b30-26+
InChIKeyAJPOPBOEZGAAPC-URGPHPNLSA-N
XLogP6.08
TPSA70.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.93
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
2,3-bis(3-triethoxysilylpropyl)aniline
CID 69038548
2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
CID 19070360
N-methyl-4-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91586903
dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate
CID 101047419
N-ethyl-4-methyl-2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 89329484
triethoxy-[2-(2-methoxy-3,6-dimethylphenyl)ethyl]silane
CID 90121058
triethoxy-[3-[2-[10-(oxiran-2-yl)decyl]-3-[2-[10-(oxiran-2-yl)decyl]-3-(3-triethoxysilylpropyl)phenoxy]phenyl]propyl]silane
CID 139758917
1-(2,6-diethylphenyl)piperidine
CID 10608826
5-methyl-2-(2-triethoxysilylethyl)benzonitrile
CID 100939024
triethoxy(2-triphenylsilylethyl)silane
CID 71398175
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine?
The IUPAC name of (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine (CID 11250201) is (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine.
What is the SMILES notation for (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine?
The canonical SMILES for (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine is CCO[Si](CCc1cccc(CC[Si](OCC)(OCC)OCC)c1/C(C)=N/N1CCCCC1)(OCC)OCC.
What is the InChIKey of (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine?
The InChIKey is AJPOPBOEZGAAPC-URGPHPNLSA-N. The full InChI is InChI=1S/C29H54N2O6Si2/c1-8-32-38(33-9-2,34-10-3)24-20-27-18-17-19-28(21-25-39(35-11-4,36-12-5)37-13-6)29(27)26(7)30-31-22-15-14-16-23-31/h17-19H,8-16,20-25H2,1-7H3/b30-26+.
What are the key properties of (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine?
(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine has a molecular weight of 582.93 g/mol, XLogP of 6.08, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine is sourced from PubChem (CID 11250201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).