1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine

C24H28N2O2 — CID 2924460

IUPAC1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCOc2cccc3ccccc23)CC1
InChIInChI=1S/C24H28N2O2/c1-27-24-12-5-4-11-22(24)26-17-15-25(16-18-26)14-7-19-28-23-13-6-9-20-8-2-3-10-21(20)23/h2-6,8-13H,7,14-19H2,1H3
InChIKeyCBXOHTSDEDXNDG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.44
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine

1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine (PubChem CID 2924460) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine
PubChem CID2924460
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCOc2cccc3ccccc23)CC1
InChIInChI=1S/C24H28N2O2/c1-27-24-12-5-4-11-22(24)26-17-15-25(16-18-26)14-7-19-28-23-13-6-9-20-8-2-3-10-21(20)23/h2-6,8-13H,7,14-19H2,1H3
InChIKeyCBXOHTSDEDXNDG-UHFFFAOYSA-N
XLogP4.44
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.44
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

CID 4418
CID 4418
CID 121102
CID 121102
CID 11957660
CID 11957660
CID 10067369
CID 10067369
CID 10361439
CID 10361439
CID 10385977
CID 10385977
CID 3826471
CID 3826471
CID 54598062
CID 54598062
CID 91937906
CID 91937906
CID 10475634
CID 10475634
CID 10091187
CID 10091187
CID 44276571
CID 44276571

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine (CID 2924460) is 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine is COc1ccccc1N1CCN(CCCOc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine?
The InChIKey is CBXOHTSDEDXNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-27-24-12-5-4-11-22(24)26-17-15-25(16-18-26)14-7-19-28-23-13-6-9-20-8-2-3-10-21(20)23/h2-6,8-13H,7,14-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine?
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine has a molecular weight of 376.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxypropyl)piperazine is sourced from PubChem (CID 2924460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).