[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane

C22H34BrNOSi — CID 71272386

IUPAC[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(N2CCC(=Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C22H34BrNOSi/c1-22(2,3)26(4,5)25-21-15-20(16-21)24-12-10-18(11-13-24)14-17-6-8-19(23)9-7-17/h6-9,14,20-21H,10-13,15-16H2,1-5H3
InChIKeyHLZDGPFQSHNFFL-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.48
Rot. Bonds4

About [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane

[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane (PubChem CID 71272386) has the molecular formula C22H34BrNOSi and a molecular weight of 436.51 g/mol. Its IUPAC name is [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane
PubChem CID71272386
Molecular FormulaC22H34BrNOSi
Molecular Weight436.51 g/mol
Exact Mass435.16
IUPAC Name[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(N2CCC(=Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C22H34BrNOSi/c1-22(2,3)26(4,5)25-21-15-20(16-21)24-12-10-18(11-13-24)14-17-6-8-19(23)9-7-17/h6-9,14,20-21H,10-13,15-16H2,1-5H3
InChIKeyHLZDGPFQSHNFFL-UHFFFAOYSA-N
XLogP6.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.48
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 [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane (CID 71272386) is [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC(N2CCC(=Cc3ccc(Br)cc3)CC2)C1.
What is the InChIKey of [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HLZDGPFQSHNFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BrNOSi/c1-22(2,3)26(4,5)25-21-15-20(16-21)24-12-10-18(11-13-24)14-17-6-8-19(23)9-7-17/h6-9,14,20-21H,10-13,15-16H2,1-5H3.
What are the key properties of [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane?
[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 436.51 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71272386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).