1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine

C26H34N2O2 — CID 10250792

IUPAC1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccc2c(c1)C(CCCCN1CCN(c3ccccc3OC)CC1)=CCC2
InChIInChI=1S/C26H34N2O2/c1-29-23-14-13-22-10-7-9-21(24(22)20-23)8-5-6-15-27-16-18-28(19-17-27)25-11-3-4-12-26(25)30-2/h3-4,9,11-14,20H,5-8,10,15-19H2,1-2H3
InChIKeyHBJIMGXWEHAIDQ-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.03
Rot. Bonds8

About 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine

1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10250792) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10250792
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccc2c(c1)C(CCCCN1CCN(c3ccccc3OC)CC1)=CCC2
InChIInChI=1S/C26H34N2O2/c1-29-23-14-13-22-10-7-9-21(24(22)20-23)8-5-6-15-27-16-18-28(19-17-27)25-11-3-4-12-26(25)30-2/h3-4,9,11-14,20H,5-8,10,15-19H2,1-2H3
InChIKeyHBJIMGXWEHAIDQ-UHFFFAOYSA-N
XLogP5.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine 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 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine (CID 10250792) is 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine is COc1ccc2c(c1)C(CCCCN1CCN(c3ccccc3OC)CC1)=CCC2.
What is the InChIKey of 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is HBJIMGXWEHAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-29-23-14-13-22-10-7-9-21(24(22)20-23)8-5-6-15-27-16-18-28(19-17-27)25-11-3-4-12-26(25)30-2/h3-4,9,11-14,20H,5-8,10,15-19H2,1-2H3.
What are the key properties of 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 406.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10250792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).