2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline

C30H32N2O — CID 16812587

IUPAC2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline
SMILESCc1ccc(C)c(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)c1
InChIInChI=1S/C30H32N2O/c1-22-11-12-23(2)27(19-22)21-33-28-10-6-9-26-13-14-29(31-30(26)28)32-17-15-25(16-18-32)20-24-7-4-3-5-8-24/h3-14,19,25H,15-18,20-21H2,1-2H3
InChIKeyZMJTYFPQUQHDEI-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.89
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline

2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline (PubChem CID 16812587) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline
PubChem CID16812587
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline
SMILESCc1ccc(C)c(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)c1
InChIInChI=1S/C30H32N2O/c1-22-11-12-23(2)27(19-22)21-33-28-10-6-9-26-13-14-29(31-30(26)28)32-17-15-25(16-18-32)20-24-7-4-3-5-8-24/h3-14,19,25H,15-18,20-21H2,1-2H3
InChIKeyZMJTYFPQUQHDEI-UHFFFAOYSA-N
XLogP6.89
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline (CID 16812587) is 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline is Cc1ccc(C)c(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline?
The InChIKey is ZMJTYFPQUQHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-22-11-12-23(2)27(19-22)21-33-28-10-6-9-26-13-14-29(31-30(26)28)32-17-15-25(16-18-32)20-24-7-4-3-5-8-24/h3-14,19,25H,15-18,20-21H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline?
2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline has a molecular weight of 436.60 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-8-[(2,5-dimethylphenyl)methoxy]quinoline is sourced from PubChem (CID 16812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).