1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine

C21H46N2O3Si — CID 175411685

IUPAC1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine
SMILESCCC(NC1CCN(CC)C(CC)(CC)C1(CC)CC)[Si](OC)(OC)OC
InChIInChI=1S/C21H46N2O3Si/c1-10-19(27(24-7,25-8)26-9)22-18-16-17-23(15-6)21(13-4,14-5)20(18,11-2)12-3/h18-19,22H,10-17H2,1-9H3
InChIKeyRMFCRAWPRLDCMG-UHFFFAOYSA-N
MW402.70 g/mol
LogP4.23
Rot. Bonds12

About 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine

1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine (PubChem CID 175411685) has the molecular formula C21H46N2O3Si and a molecular weight of 402.70 g/mol. Its IUPAC name is 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine
PubChem CID175411685
Molecular FormulaC21H46N2O3Si
Molecular Weight402.70 g/mol
Exact Mass402.33
IUPAC Name1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine
SMILESCCC(NC1CCN(CC)C(CC)(CC)C1(CC)CC)[Si](OC)(OC)OC
InChIInChI=1S/C21H46N2O3Si/c1-10-19(27(24-7,25-8)26-9)22-18-16-17-23(15-6)21(13-4,14-5)20(18,11-2)12-3/h18-19,22H,10-17H2,1-9H3
InChIKeyRMFCRAWPRLDCMG-UHFFFAOYSA-N
XLogP4.23
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine?
The IUPAC name of 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine (CID 175411685) is 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine.
What is the SMILES notation for 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine?
The canonical SMILES for 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine is CCC(NC1CCN(CC)C(CC)(CC)C1(CC)CC)[Si](OC)(OC)OC.
What is the InChIKey of 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine?
The InChIKey is RMFCRAWPRLDCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2O3Si/c1-10-19(27(24-7,25-8)26-9)22-18-16-17-23(15-6)21(13-4,14-5)20(18,11-2)12-3/h18-19,22H,10-17H2,1-9H3.
What are the key properties of 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine?
1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine has a molecular weight of 402.70 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3-pentaethyl-N-(1-trimethoxysilylpropyl)piperidin-4-amine is sourced from PubChem (CID 175411685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).