trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane

C17H37N3O3Si — CID 178023107

IUPACtrimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane
SMILESCO[Si](CCCN1CCN(CCN2CCCCC2)CC1)(OC)OC
InChIInChI=1S/C17H37N3O3Si/c1-21-24(22-2,23-3)17-7-10-19-12-15-20(16-13-19)14-11-18-8-5-4-6-9-18/h4-17H2,1-3H3
InChIKeyKTOWEEKZHZWBNC-UHFFFAOYSA-N
MW359.59 g/mol
LogP1.36
Rot. Bonds10

About trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane

trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane (PubChem CID 178023107) has the molecular formula C17H37N3O3Si and a molecular weight of 359.59 g/mol. Its IUPAC name is trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane
PubChem CID178023107
Molecular FormulaC17H37N3O3Si
Molecular Weight359.59 g/mol
Exact Mass359.26
IUPAC Nametrimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane
SMILESCO[Si](CCCN1CCN(CCN2CCCCC2)CC1)(OC)OC
InChIInChI=1S/C17H37N3O3Si/c1-21-24(22-2,23-3)17-7-10-19-12-15-20(16-13-19)14-11-18-8-5-4-6-9-18/h4-17H2,1-3H3
InChIKeyKTOWEEKZHZWBNC-UHFFFAOYSA-N
XLogP1.36
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy-[3-[16-(3-trimethoxysilylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]silane
CID 102530971
11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
CID 102100554
trimethoxy(3-piperazin-1-ylpropyl)silane
CID 12841680
[dimethoxy(3-piperazin-1-ylpropyl)silyl]oxy-dimethoxy-(3-piperazin-1-ylpropyl)silane
CID 141466388
dichloro-methyl-(3-piperidin-1-ylpropyl)silane
CID 19900955
3-(3-ethylpiperidin-1-yl)propyl-trimethoxysilane
CID 19900960
trichloro(3-piperidin-1-ylpropyl)silane
CID 19900964
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
ethenyl-dimethyl-(3-piperidin-1-ylpropyl)silane
CID 67433761
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane?
The IUPAC name of trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane (CID 178023107) is trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane is CO[Si](CCCN1CCN(CCN2CCCCC2)CC1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane?
The InChIKey is KTOWEEKZHZWBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O3Si/c1-21-24(22-2,23-3)17-7-10-19-12-15-20(16-13-19)14-11-18-8-5-4-6-9-18/h4-17H2,1-3H3.
What are the key properties of trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane?
trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane has a molecular weight of 359.59 g/mol, XLogP of 1.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane is sourced from PubChem (CID 178023107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).