[(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane

C25H35NOSi — CID 24938410

IUPAC[(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane
SMILESCOc1ccc(C[C@@H]2[C@@H](C)/C(=C/[Si](C)(C)C)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H35NOSi/c1-20-23(19-28(3,4)5)15-16-26(18-22-9-7-6-8-10-22)25(20)17-21-11-13-24(27-2)14-12-21/h6-14,19-20,25H,15-18H2,1-5H3/b23-19+/t20-,25+/m0/s1
InChIKeyPIVYSQYGRXYKTJ-HFJYKLSXSA-N
MW393.65 g/mol
LogP5.95
Rot. Bonds6

About [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane

[(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane (PubChem CID 24938410) has the molecular formula C25H35NOSi and a molecular weight of 393.65 g/mol. Its IUPAC name is [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane
PubChem CID24938410
Molecular FormulaC25H35NOSi
Molecular Weight393.65 g/mol
Exact Mass393.25
IUPAC Name[(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane
SMILESCOc1ccc(C[C@@H]2[C@@H](C)/C(=C/[Si](C)(C)C)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H35NOSi/c1-20-23(19-28(3,4)5)15-16-26(18-22-9-7-6-8-10-22)25(20)17-21-11-13-24(27-2)14-12-21/h6-14,19-20,25H,15-18H2,1-5H3/b23-19+/t20-,25+/m0/s1
InChIKeyPIVYSQYGRXYKTJ-HFJYKLSXSA-N
XLogP5.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.65
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane (CID 24938410) is [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane is COc1ccc(C[C@@H]2[C@@H](C)/C(=C/[Si](C)(C)C)CCN2Cc2ccccc2)cc1.
What is the InChIKey of [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane?
The InChIKey is PIVYSQYGRXYKTJ-HFJYKLSXSA-N. The full InChI is InChI=1S/C25H35NOSi/c1-20-23(19-28(3,4)5)15-16-26(18-22-9-7-6-8-10-22)25(20)17-21-11-13-24(27-2)14-12-21/h6-14,19-20,25H,15-18H2,1-5H3/b23-19+/t20-,25+/m0/s1.
What are the key properties of [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane?
[(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane has a molecular weight of 393.65 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R,3S)-1-benzyl-2-[(4-methoxyphenyl)methyl]-3-methylpiperidin-4-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 24938410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).