4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol

C32H46N2OSi — CID 68631431

IUPAC4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol
SMILESCC[Si](CC)(CC)c1[nH]c2ccccc2c1CCCC1(O)CCC(c2ccccc2)(N2CCC2)CC1
InChIInChI=1S/C32H46N2OSi/c1-4-36(5-2,6-3)30-28(27-16-10-11-18-29(27)33-30)17-12-19-31(35)20-22-32(23-21-31,34-24-13-25-34)26-14-8-7-9-15-26/h7-11,14-16,18,33,35H,4-6,12-13,17,19-25H2,1-3H3
InChIKeyIILFOOXSHZBMCP-UHFFFAOYSA-N
MW502.82 g/mol
LogP7.11
Rot. Bonds10

About 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol

4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol (PubChem CID 68631431) has the molecular formula C32H46N2OSi and a molecular weight of 502.82 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol
PubChem CID68631431
Molecular FormulaC32H46N2OSi
Molecular Weight502.82 g/mol
Exact Mass502.34
IUPAC Name4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol
SMILESCC[Si](CC)(CC)c1[nH]c2ccccc2c1CCCC1(O)CCC(c2ccccc2)(N2CCC2)CC1
InChIInChI=1S/C32H46N2OSi/c1-4-36(5-2,6-3)30-28(27-16-10-11-18-29(27)33-30)17-12-19-31(35)20-22-32(23-21-31,34-24-13-25-34)26-14-8-7-9-15-26/h7-11,14-16,18,33,35H,4-6,12-13,17,19-25H2,1-3H3
InChIKeyIILFOOXSHZBMCP-UHFFFAOYSA-N
XLogP7.11
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.82
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-(azetidin-1-yl)-4-phenyl-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
CID 141252798
4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol
CID 68629968
[3-(2-azidoethyl)-1H-indol-2-yl]-triethylsilane
CID 86700711
[3-(cyclohexylmethyl)-1H-indol-2-yl]-triethylsilane
CID 57475133
2-[4-(azetidin-1-yl)-4-phenylcyclohexyl]-3-methyl-1H-indole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 24952595
1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
CID 118711493
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
2-(1H-indol-3-yl)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 110637911
[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
CID 116928972
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
2-(1-phenylcyclopropyl)-1H-indazol-3-one
CID 131845574
1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol?
The IUPAC name of 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol (CID 68631431) is 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol?
The canonical SMILES for 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol is CC[Si](CC)(CC)c1[nH]c2ccccc2c1CCCC1(O)CCC(c2ccccc2)(N2CCC2)CC1.
What is the InChIKey of 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol?
The InChIKey is IILFOOXSHZBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2OSi/c1-4-36(5-2,6-3)30-28(27-16-10-11-18-29(27)33-30)17-12-19-31(35)20-22-32(23-21-31,34-24-13-25-34)26-14-8-7-9-15-26/h7-11,14-16,18,33,35H,4-6,12-13,17,19-25H2,1-3H3.
What are the key properties of 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol?
4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol has a molecular weight of 502.82 g/mol, XLogP of 7.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-4-phenyl-1-[3-(2-triethylsilyl-1H-indol-3-yl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 68631431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).