1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine

C26H29NO — CID 58455165

IUPAC1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C26H29NO/c1-21-11-13-23(14-12-21)26(22-9-5-3-6-10-22,27-19-7-4-8-20-27)24-15-17-25(28-2)18-16-24/h3,5-6,9-18H,4,7-8,19-20H2,1-2H3
InChIKeyUVWLLVIFELGTST-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.78
Rot. Bonds5

About 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine

1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine (PubChem CID 58455165) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine
PubChem CID58455165
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC Name1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C26H29NO/c1-21-11-13-23(14-12-21)26(22-9-5-3-6-10-22,27-19-7-4-8-20-27)24-15-17-25(28-2)18-16-24/h3,5-6,9-18H,4,7-8,19-20H2,1-2H3
InChIKeyUVWLLVIFELGTST-UHFFFAOYSA-N
XLogP5.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine?
The IUPAC name of 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine (CID 58455165) is 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine?
The canonical SMILES for 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine is COc1ccc(C(c2ccccc2)(c2ccc(C)cc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine?
The InChIKey is UVWLLVIFELGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-21-11-13-23(14-12-21)26(22-9-5-3-6-10-22,27-19-7-4-8-20-27)24-15-17-25(28-2)18-16-24/h3,5-6,9-18H,4,7-8,19-20H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine?
1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine has a molecular weight of 371.52 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine is sourced from PubChem (CID 58455165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).