2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol

C38H38N2OSi — CID 136711915

IUPAC2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol
SMILESCc1cc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H38N2OSi/c1-30-26-32(28-39-33-22-24-40(25-23-33)29-31-14-6-2-7-15-31)38(41)37(27-30)42(34-16-8-3-9-17-34,35-18-10-4-11-19-35)36-20-12-5-13-21-36/h2-21,26-28,33,41H,22-25,29H2,1H3/b39-28+
InChIKeyJZFHKGKXHQULCV-MULCNKJOSA-N
MW566.82 g/mol
LogP5.16
Rot. Bonds8

About 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol

2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol (PubChem CID 136711915) has the molecular formula C38H38N2OSi and a molecular weight of 566.82 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol
PubChem CID136711915
Molecular FormulaC38H38N2OSi
Molecular Weight566.82 g/mol
Exact Mass566.28
IUPAC Name2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol
SMILESCc1cc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H38N2OSi/c1-30-26-32(28-39-33-22-24-40(25-23-33)29-31-14-6-2-7-15-31)38(41)37(27-30)42(34-16-8-3-9-17-34,35-18-10-4-11-19-35)36-20-12-5-13-21-36/h2-21,26-28,33,41H,22-25,29H2,1H3/b39-28+
InChIKeyJZFHKGKXHQULCV-MULCNKJOSA-N
XLogP5.16
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
CID 135595403
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-nitrophenol
CID 135595401
2-[[(3R)-1-benzylpyrrolidin-3-yl]iminomethyl]-4-chlorophenol
CID 135598272
5-[(1-benzylpiperidin-4-yl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1415725
5-[(1-benzylpiperidin-4-yl)iminomethyl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 1418240
2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
CID 135598114
N-(1-benzylpiperidin-4-yl)-1-[4-ethyl-3-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine;hydrochloride
CID 137053725
1-(1-benzylpiperidin-4-yl)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]thiourea
CID 145420207
2-[(1-benzylpiperidin-4-yl)methyl]propanedioate;hydrochloride
CID 18386676
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
1-benzyl-4-isothiocyanatopiperidine
CID 11806546
dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate
CID 23578557

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol (CID 136711915) is 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol is Cc1cc(/C=N/C2CCN(Cc3ccccc3)CC2)c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol?
The InChIKey is JZFHKGKXHQULCV-MULCNKJOSA-N. The full InChI is InChI=1S/C38H38N2OSi/c1-30-26-32(28-39-33-22-24-40(25-23-33)29-31-14-6-2-7-15-31)38(41)37(27-30)42(34-16-8-3-9-17-34,35-18-10-4-11-19-35)36-20-12-5-13-21-36/h2-21,26-28,33,41H,22-25,29H2,1H3/b39-28+.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol?
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol has a molecular weight of 566.82 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol is sourced from PubChem (CID 136711915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).