[1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane

C34H42N2OSi — CID 145214103

IUPAC[1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CN(Cc2ccccc2)CCC1Cc1ccc(-c2cccc3ncccc23)cc1
InChIInChI=1S/C34H42N2OSi/c1-34(2,3)38(4,5)37-33-25-36(24-27-11-7-6-8-12-27)22-20-29(33)23-26-16-18-28(19-17-26)30-13-9-15-32-31(30)14-10-21-35-32/h6-19,21,29,33H,20,22-25H2,1-5H3
InChIKeyMLTDMAUEUSUTAJ-UHFFFAOYSA-N
MW522.81 g/mol
LogP8.36
Rot. Bonds7

About [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane

[1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 145214103) has the molecular formula C34H42N2OSi and a molecular weight of 522.81 g/mol. Its IUPAC name is [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID145214103
Molecular FormulaC34H42N2OSi
Molecular Weight522.81 g/mol
Exact Mass522.31
IUPAC Name[1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CN(Cc2ccccc2)CCC1Cc1ccc(-c2cccc3ncccc23)cc1
InChIInChI=1S/C34H42N2OSi/c1-34(2,3)38(4,5)37-33-25-36(24-27-11-7-6-8-12-27)22-20-29(33)23-26-16-18-28(19-17-26)30-13-9-15-32-31(30)14-10-21-35-32/h6-19,21,29,33H,20,22-25H2,1-5H3
InChIKeyMLTDMAUEUSUTAJ-UHFFFAOYSA-N
XLogP8.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.81
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-benzyl-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl] N-(2-chloroethyl)carbamate
CID 90886951
tert-butyl-[(1,4-dibenzylpyrrolidin-3-yl)methoxy]-dimethylsilane
CID 69177639
1-benzyl-4-[(4-methylphenyl)methyl]piperidine-3-carbaldehyde
CID 174367188
CID 175088616
CID 175088616
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11696722
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
2-[4-[[(3S)-3-(pyrimidin-2-ylmethyl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124952709
9-benzyl-7-quinolin-5-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171970107
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 145214103) is [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CN(Cc2ccccc2)CCC1Cc1ccc(-c2cccc3ncccc23)cc1.
What is the InChIKey of [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MLTDMAUEUSUTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2OSi/c1-34(2,3)38(4,5)37-33-25-36(24-27-11-7-6-8-12-27)22-20-29(33)23-26-16-18-28(19-17-26)30-13-9-15-32-31(30)14-10-21-35-32/h6-19,21,29,33H,20,22-25H2,1-5H3.
What are the key properties of [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane?
[1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 522.81 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-[(4-quinolin-5-ylphenyl)methyl]piperidin-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 145214103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).