2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde

C32H41NO2Si — CID 59714908

IUPAC2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde
SMILESCC(C)(C)[Si](OCCC1(CC=O)CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H41NO2Si/c1-31(2,3)36(29-15-9-5-10-16-29,30-17-11-6-12-18-30)35-26-22-32(21-25-34)19-23-33(24-20-32)27-28-13-7-4-8-14-28/h4-18,25H,19-24,26-27H2,1-3H3
InChIKeyDLVXYUUEJFRLMM-UHFFFAOYSA-N
MW499.77 g/mol
LogP5.82
Rot. Bonds10

About 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde

2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde (PubChem CID 59714908) has the molecular formula C32H41NO2Si and a molecular weight of 499.77 g/mol. Its IUPAC name is 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde
PubChem CID59714908
Molecular FormulaC32H41NO2Si
Molecular Weight499.77 g/mol
Exact Mass499.29
IUPAC Name2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde
SMILESCC(C)(C)[Si](OCCC1(CC=O)CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H41NO2Si/c1-31(2,3)36(29-15-9-5-10-16-29,30-17-11-6-12-18-30)35-26-22-32(21-25-34)19-23-33(24-20-32)27-28-13-7-4-8-14-28/h4-18,25H,19-24,26-27H2,1-3H3
InChIKeyDLVXYUUEJFRLMM-UHFFFAOYSA-N
XLogP5.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.77
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde (CID 59714908) is 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde is CC(C)(C)[Si](OCCC1(CC=O)CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde?
The InChIKey is DLVXYUUEJFRLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO2Si/c1-31(2,3)36(29-15-9-5-10-16-29,30-17-11-6-12-18-30)35-26-22-32(21-25-34)19-23-33(24-20-32)27-28-13-7-4-8-14-28/h4-18,25H,19-24,26-27H2,1-3H3.
What are the key properties of 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde?
2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde has a molecular weight of 499.77 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 59714908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).