2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine

C12H29N3O3Si — CID 172745410

IUPAC2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine
SMILESCO[Si](CCCC1CNCCN1CCN)(OC)OC
InChIInChI=1S/C12H29N3O3Si/c1-16-19(17-2,18-3)10-4-5-12-11-14-7-9-15(12)8-6-13/h12,14H,4-11,13H2,1-3H3
InChIKeyJQQFVAOCCISHKW-UHFFFAOYSA-N
MW291.47 g/mol
LogP-0.12
Rot. Bonds9

About 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine

2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine (PubChem CID 172745410) has the molecular formula C12H29N3O3Si and a molecular weight of 291.47 g/mol. Its IUPAC name is 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine
PubChem CID172745410
Molecular FormulaC12H29N3O3Si
Molecular Weight291.47 g/mol
Exact Mass291.20
IUPAC Name2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine
SMILESCO[Si](CCCC1CNCCN1CCN)(OC)OC
InChIInChI=1S/C12H29N3O3Si/c1-16-19(17-2,18-3)10-4-5-12-11-14-7-9-15(12)8-6-13/h12,14H,4-11,13H2,1-3H3
InChIKeyJQQFVAOCCISHKW-UHFFFAOYSA-N
XLogP-0.12
TPSA68.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-aminopropyl)piperazin-2-yl]propan-1-amine;piperazine
CID 174901331
trimethoxy-[3-(4-propylmorpholin-3-yl)propyl]silane
CID 152610920
trimethoxy(3-piperazin-1-ylpropyl)silane
CID 12841680
trimethoxy(3-piperidin-4-ylpropyl)silane
CID 68866239
[(2S)-1-ethylpiperazin-2-yl]methanamine
CID 178078996
[dimethoxy(3-piperazin-1-ylpropyl)silyl]oxy-dimethoxy-(3-piperazin-1-ylpropyl)silane
CID 141466388
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
2-[2-(methoxymethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 117003769
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
(2S)-1-[2-(1H-imidazol-5-yl)ethyl]-2-(2-methoxyethyl)piperazine
CID 10657582
aziridine;3-chloropropyl(trimethoxy)silane
CID 121233192
2-[(2S)-1-butylpiperazin-2-yl]acetamide
CID 139684996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine (CID 172745410) is 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine is CO[Si](CCCC1CNCCN1CCN)(OC)OC.
What is the InChIKey of 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine?
The InChIKey is JQQFVAOCCISHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O3Si/c1-16-19(17-2,18-3)10-4-5-12-11-14-7-9-15(12)8-6-13/h12,14H,4-11,13H2,1-3H3.
What are the key properties of 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine?
2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine has a molecular weight of 291.47 g/mol, XLogP of -0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-trimethoxysilylpropyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 172745410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).