1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine

C26H34N2O2 — CID 11742092

IUPAC1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCC2=CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C26H34N2O2/c1-29-25-15-8-11-22-21(10-7-12-23(22)25)9-5-6-16-27-17-19-28(20-18-27)24-13-3-4-14-26(24)30-2/h3-4,8,10-11,13-15H,5-7,9,12,16-20H2,1-2H3
InChIKeyFDLXYGCUGATCMA-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.03
Rot. Bonds8

About 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine

1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 11742092) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID11742092
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCC2=CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C26H34N2O2/c1-29-25-15-8-11-22-21(10-7-12-23(22)25)9-5-6-16-27-17-19-28(20-18-27)24-13-3-4-14-26(24)30-2/h3-4,8,10-11,13-15H,5-7,9,12,16-20H2,1-2H3
InChIKeyFDLXYGCUGATCMA-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'}

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Related Compounds

Naftopidil
CID 4418
Anisopirol
CID 13333
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
Naftopidil Dihydrochloride
CID 11957660
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-[4-(Azulenylmethyl)piperazinyl]-2-methoxybenzene
CID 3716121
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906
1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10593421

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine (CID 11742092) is 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCCC2=CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is FDLXYGCUGATCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-29-25-15-8-11-22-21(10-7-12-23(22)25)9-5-6-16-27-17-19-28(20-18-27)24-13-3-4-14-26(24)30-2/h3-4,8,10-11,13-15H,5-7,9,12,16-20H2,1-2H3.
What are the key properties of 1-[4-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine?
1-[4-(5-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-(5-methoxy-3,4-dihydronaphthalen-1-yl)butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 11742092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).