1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine

C26H32N2O2 — CID 127028034

IUPAC1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3
InChIKeyATMVGYLFYGIYDI-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.22
Rot. Bonds9

About 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine

1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine (PubChem CID 127028034) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine
PubChem CID127028034
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3
InChIKeyATMVGYLFYGIYDI-UHFFFAOYSA-N
XLogP5.22
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine (CID 127028034) is 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine is COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine?
The InChIKey is ATMVGYLFYGIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-29-26-12-6-5-11-25(26)28-18-16-27(17-19-28)15-7-2-8-20-30-24-14-13-22-9-3-4-10-23(22)21-24/h3-6,9-14,21H,2,7-8,15-20H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine?
1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine has a molecular weight of 404.55 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(5-naphthalen-2-yloxypentyl)piperazine is sourced from PubChem (CID 127028034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).