4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine

C28H27N3 — CID 134937417

IUPAC4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine
SMILESCc1ccc(/N=C2\C=C(N3CCCCC3)/C(=N/c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H27N3/c1-21-14-16-23(17-15-21)29-26-20-27(31-18-8-3-9-19-31)28(25-13-7-6-12-24(25)26)30-22-10-4-2-5-11-22/h2,4-7,10-17,20H,3,8-9,18-19H2,1H3/b29-26+,30-28+
InChIKeyIJZGDJRDEIBXQZ-VAGFOZCCSA-N
MW405.55 g/mol
LogP6.62
Rot. Bonds3

About 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine

4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine (PubChem CID 134937417) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine
PubChem CID134937417
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine
SMILESCc1ccc(/N=C2\C=C(N3CCCCC3)/C(=N/c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H27N3/c1-21-14-16-23(17-15-21)29-26-20-27(31-18-8-3-9-19-31)28(25-13-7-6-12-24(25)26)30-22-10-4-2-5-11-22/h2,4-7,10-17,20H,3,8-9,18-19H2,1H3/b29-26+,30-28+
InChIKeyIJZGDJRDEIBXQZ-VAGFOZCCSA-N
XLogP6.62
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine?
The IUPAC name of 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine (CID 134937417) is 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine.
What is the SMILES notation for 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine?
The canonical SMILES for 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine is Cc1ccc(/N=C2\C=C(N3CCCCC3)/C(=N/c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine?
The InChIKey is IJZGDJRDEIBXQZ-VAGFOZCCSA-N. The full InChI is InChI=1S/C28H27N3/c1-21-14-16-23(17-15-21)29-26-20-27(31-18-8-3-9-19-31)28(25-13-7-6-12-24(25)26)30-22-10-4-2-5-11-22/h2,4-7,10-17,20H,3,8-9,18-19H2,1H3/b29-26+,30-28+.
What are the key properties of 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine?
4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine has a molecular weight of 405.55 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-1-N-phenyl-2-piperidin-1-ylnaphthalene-1,4-diimine is sourced from PubChem (CID 134937417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).