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

C18H24N2O — CID 141430236

IUPAC1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine
SMILESCN1CCN(CCCOc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H24N2O/c1-19-10-12-20(13-11-19)9-4-14-21-18-8-7-16-5-2-3-6-17(16)15-18/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyQXTADKACYIMHII-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.86
Rot. Bonds5

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

1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine (PubChem CID 141430236) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine
PubChem CID141430236
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine
SMILESCN1CCN(CCCOc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H24N2O/c1-19-10-12-20(13-11-19)9-4-14-21-18-8-7-16-5-2-3-6-17(16)15-18/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyQXTADKACYIMHII-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine?
The IUPAC name of 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine (CID 141430236) is 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine is CN1CCN(CCCOc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine?
The InChIKey is QXTADKACYIMHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19-10-12-20(13-11-19)9-4-14-21-18-8-7-16-5-2-3-6-17(16)15-18/h2-3,5-8,15H,4,9-14H2,1H3.
What are the key properties of 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine?
1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine has a molecular weight of 284.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-naphthalen-2-yloxypropyl)piperazine is sourced from PubChem (CID 141430236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).