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

C21H30N2Si — CID 76843788

IUPACdimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
SMILESC[Si](C)(C1CC(c2ccccc2)C2C=CC=CC21)N1CCNCC1
InChIInChI=1S/C21H30N2Si/c1-24(2,23-14-12-22-13-15-23)21-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21/h3-11,18-22H,12-16H2,1-2H3
InChIKeyXTWXYJYMEPGHRR-UHFFFAOYSA-N
MW338.57 g/mol
LogP4.01
Rot. Bonds3

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

dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane (PubChem CID 76843788) has the molecular formula C21H30N2Si and a molecular weight of 338.57 g/mol. Its IUPAC name is dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane.

Molecular Properties

Compound Namedimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
PubChem CID76843788
Molecular FormulaC21H30N2Si
Molecular Weight338.57 g/mol
Exact Mass338.22
IUPAC Namedimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
SMILESC[Si](C)(C1CC(c2ccccc2)C2C=CC=CC21)N1CCNCC1
InChIInChI=1S/C21H30N2Si/c1-24(2,23-14-12-22-13-15-23)21-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21/h3-11,18-22H,12-16H2,1-2H3
InChIKeyXTWXYJYMEPGHRR-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-(1,3,5-triazinan-1-yl)silane
CID 76843825
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
carbanide;dichlorotitanium;dimethyl-[(3S)-3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-piperazin-4-id-1-ylsilane
CID 58634315
carbanide;dichlorozirconium(2+);(1,3-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)-dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 162298306
[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
CID 58634910
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
trimethyl-[methyl-[(1S,2R)-2-phenylcyclopropyl]-trimethylsilyloxysilyl]oxysilane
CID 102422598
(3R,4R)-4-methyl-3-phenylpiperidine
CID 129371451
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
1-ethyl-2-phenyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095473
2-(1,4-diazepan-1-yl)-1-(2-phenylcyclopropyl)ethanone
CID 116565467
2-phenyl-1-propyl-2,3,3a,7a-tetrahydro-1H-indene
CID 21095760

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
The IUPAC name of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane (CID 76843788) is dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane.
What is the SMILES notation for dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
The canonical SMILES for dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane is C[Si](C)(C1CC(c2ccccc2)C2C=CC=CC21)N1CCNCC1.
What is the InChIKey of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
The InChIKey is XTWXYJYMEPGHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2Si/c1-24(2,23-14-12-22-13-15-23)21-16-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21/h3-11,18-22H,12-16H2,1-2H3.
What are the key properties of dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane?
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane has a molecular weight of 338.57 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane is sourced from PubChem (CID 76843788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).