tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane

C29H42ClNOSi — CID 154124238

IUPACtert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane
SMILESCC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1
InChIInChI=1S/C29H42ClNOSi/c1-26(2,3)33-32-27(4,5)29(24-10-7-6-8-11-24)18-20-31(21-19-29)22-28(16-9-17-28)23-12-14-25(30)15-13-23/h6-8,10-15H,9,16-22,33H2,1-5H3
InChIKeyDNXAYNNMSADDRN-UHFFFAOYSA-N
MW484.20 g/mol
LogP6.89
Rot. Bonds7

About tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane

tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane (PubChem CID 154124238) has the molecular formula C29H42ClNOSi and a molecular weight of 484.20 g/mol. Its IUPAC name is tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane
PubChem CID154124238
Molecular FormulaC29H42ClNOSi
Molecular Weight484.20 g/mol
Exact Mass483.27
IUPAC Nametert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane
SMILESCC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1
InChIInChI=1S/C29H42ClNOSi/c1-26(2,3)33-32-27(4,5)29(24-10-7-6-8-11-24)18-20-31(21-19-29)22-28(16-9-17-28)23-12-14-25(30)15-13-23/h6-8,10-15H,9,16-22,33H2,1-5H3
InChIKeyDNXAYNNMSADDRN-UHFFFAOYSA-N
XLogP6.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.20
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane?
The IUPAC name of tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane (CID 154124238) is tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane.
What is the SMILES notation for tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane?
The canonical SMILES for tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane is CC(C)(C)[SiH2]OC(C)(C)C1(c2ccccc2)CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1.
What is the InChIKey of tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane?
The InChIKey is DNXAYNNMSADDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42ClNOSi/c1-26(2,3)33-32-27(4,5)29(24-10-7-6-8-11-24)18-20-31(21-19-29)22-28(16-9-17-28)23-12-14-25(30)15-13-23/h6-8,10-15H,9,16-22,33H2,1-5H3.
What are the key properties of tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane?
tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane has a molecular weight of 484.20 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-phenylpiperidin-4-yl]propan-2-yloxy]silane is sourced from PubChem (CID 154124238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).