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

C21H36N2Si — CID 58634112

IUPAC(4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
SMILESC[Si](C)(C1CCC2C(C3CCCCC3)=CC=CC21)N1CCNCC1
InChIInChI=1S/C21H36N2Si/c1-24(2,23-15-13-22-14-16-23)21-12-11-19-18(9-6-10-20(19)21)17-7-4-3-5-8-17/h6,9-10,17,19-22H,3-5,7-8,11-16H2,1-2H3
InChIKeyAJFCJHFOKOCQDR-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.57
Rot. Bonds3

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

(4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane (PubChem CID 58634112) has the molecular formula C21H36N2Si and a molecular weight of 344.62 g/mol. Its IUPAC name is (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane.

Molecular Properties

Compound Name(4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
PubChem CID58634112
Molecular FormulaC21H36N2Si
Molecular Weight344.62 g/mol
Exact Mass344.26
IUPAC Name(4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
SMILESC[Si](C)(C1CCC2C(C3CCCCC3)=CC=CC21)N1CCNCC1
InChIInChI=1S/C21H36N2Si/c1-24(2,23-15-13-22-14-16-23)21-12-11-19-18(9-6-10-20(19)21)17-7-4-3-5-8-17/h6,9-10,17,19-22H,3-5,7-8,11-16H2,1-2H3
InChIKeyAJFCJHFOKOCQDR-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane
CID 76844244
dimethyl-(3-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 76843788
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122
dimethyl-(2-methyl-4-pyridin-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634095
[(3R)-3-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(1,3,5-triazinan-1-yl)silane
CID 58634910
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
2-cyclopentyl-4,6-dimethyl-5-piperazin-1-ylpyrimidine
CID 117212544
1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine
CID 57109812
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole
CID 94979311

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
The IUPAC name of (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane (CID 58634112) is (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane.
What is the SMILES notation for (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
The canonical SMILES for (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane is C[Si](C)(C1CCC2C(C3CCCCC3)=CC=CC21)N1CCNCC1.
What is the InChIKey of (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
The InChIKey is AJFCJHFOKOCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2Si/c1-24(2,23-15-13-22-14-16-23)21-12-11-19-18(9-6-10-20(19)21)17-7-4-3-5-8-17/h6,9-10,17,19-22H,3-5,7-8,11-16H2,1-2H3.
What are the key properties of (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane?
(4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane has a molecular weight of 344.62 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-piperazin-1-ylsilane is sourced from PubChem (CID 58634112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).