1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine

C24H36N2O — CID 67762808

IUPAC1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
SMILESCCCCCCCCCOc1ccc2cccc(N3CCN(C)CC3)c2c1
InChIInChI=1S/C24H36N2O/c1-3-4-5-6-7-8-9-19-27-22-14-13-21-11-10-12-24(23(21)20-22)26-17-15-25(2)16-18-26/h10-14,20H,3-9,15-19H2,1-2H3
InChIKeySLIUMNYHADBKTL-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.72
Rot. Bonds10

About 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine

1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine (PubChem CID 67762808) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
PubChem CID67762808
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
SMILESCCCCCCCCCOc1ccc2cccc(N3CCN(C)CC3)c2c1
InChIInChI=1S/C24H36N2O/c1-3-4-5-6-7-8-9-19-27-22-14-13-21-11-10-12-24(23(21)20-22)26-17-15-25(2)16-18-26/h10-14,20H,3-9,15-19H2,1-2H3
InChIKeySLIUMNYHADBKTL-UHFFFAOYSA-N
XLogP5.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.72
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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Related Compounds

1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
CID 22115685
1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 70193466
3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
CID 57197265
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
(7-hexoxynaphthalen-1-yl) acetate
CID 150519564
[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509
2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 10791125
1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
CID 22115744
1,3-dihexadecoxybenzene
CID 12686834
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine?
The IUPAC name of 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine (CID 67762808) is 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine?
The canonical SMILES for 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine is CCCCCCCCCOc1ccc2cccc(N3CCN(C)CC3)c2c1.
What is the InChIKey of 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine?
The InChIKey is SLIUMNYHADBKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-4-5-6-7-8-9-19-27-22-14-13-21-11-10-12-24(23(21)20-22)26-17-15-25(2)16-18-26/h10-14,20H,3-9,15-19H2,1-2H3.
What are the key properties of 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine?
1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine has a molecular weight of 368.57 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine is sourced from PubChem (CID 67762808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).