dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane

C21H31N3Si — CID 58634095

IUPACdimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
SMILESCC1CC2C(c3ccccn3)=CC=CC2C1[Si](C)(C)N1CCNCC1
InChIInChI=1S/C21H31N3Si/c1-16-15-19-17(20-9-4-5-10-23-20)7-6-8-18(19)21(16)25(2,3)24-13-11-22-12-14-24/h4-10,16,18-19,21-22H,11-15H2,1-3H3
InChIKeyMFXVHYYLRBRNFI-UHFFFAOYSA-N
MW353.59 g/mol
LogP3.79
Rot. Bonds3

About dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane

dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane (PubChem CID 58634095) has the molecular formula C21H31N3Si and a molecular weight of 353.59 g/mol. Its IUPAC name is dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane.

Molecular Properties

Compound Namedimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
PubChem CID58634095
Molecular FormulaC21H31N3Si
Molecular Weight353.59 g/mol
Exact Mass353.23
IUPAC Namedimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
SMILESCC1CC2C(c3ccccn3)=CC=CC2C1[Si](C)(C)N1CCNCC1
InChIInChI=1S/C21H31N3Si/c1-16-15-19-17(20-9-4-5-10-23-20)7-6-8-18(19)21(16)25(2,3)24-13-11-22-12-14-24/h4-10,16,18-19,21-22H,11-15H2,1-3H3
InChIKeyMFXVHYYLRBRNFI-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
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 dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
The IUPAC name of dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane (CID 58634095) is dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane.
What is the SMILES notation for dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
The canonical SMILES for dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane is CC1CC2C(c3ccccn3)=CC=CC2C1[Si](C)(C)N1CCNCC1.
What is the InChIKey of dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
The InChIKey is MFXVHYYLRBRNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3Si/c1-16-15-19-17(20-9-4-5-10-23-20)7-6-8-18(19)21(16)25(2,3)24-13-11-22-12-14-24/h4-10,16,18-19,21-22H,11-15H2,1-3H3.
What are the key properties of dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane has a molecular weight of 353.59 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane is sourced from PubChem (CID 58634095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).