1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine

C24H29N3O — CID 22115685

IUPAC1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
SMILESCc1cccc(CCCOc2ccc3cccc(N4CCN(C)CC4)c3c2)n1
InChIInChI=1S/C24H29N3O/c1-19-6-3-8-21(25-19)9-5-17-28-22-12-11-20-7-4-10-24(23(20)18-22)27-15-13-26(2)14-16-27/h3-4,6-8,10-12,18H,5,9,13-17H2,1-2H3
InChIKeyLSWXSAQPSNCXAL-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.31
Rot. Bonds6

About 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine (PubChem CID 22115685) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
PubChem CID22115685
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
SMILESCc1cccc(CCCOc2ccc3cccc(N4CCN(C)CC4)c3c2)n1
InChIInChI=1S/C24H29N3O/c1-19-6-3-8-21(25-19)9-5-17-28-22-12-11-20-7-4-10-24(23(20)18-22)27-15-13-26(2)14-16-27/h3-4,6-8,10-12,18H,5,9,13-17H2,1-2H3
InChIKeyLSWXSAQPSNCXAL-UHFFFAOYSA-N
XLogP4.31
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.31
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

1-methyl-4-(7-nonoxynaphthalen-1-yl)piperazine
CID 67762808
3-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethyl]-5-phenyl-1,2-oxazole
CID 57197265
1-methyl-4-[7-[(1-methyl-5-propan-2-ylpyrrol-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 70193466
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 10791125
[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509
1-methyl-4-[7-[1-(5-propan-2-yl-1H-pyrrol-2-yl)ethoxy]naphthalen-1-yl]piperazine
CID 22115744
3-(2-methoxyphenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole
CID 22115631
3-(2-fluorophenyl)-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-1,2,4-oxadiazole;dihydrochloride
CID 22115574
7-[4-[4-[7-(2-methoxyethoxy)naphthalen-1-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073741
1-methyl-4-[7-[(2-methylphenyl)-thiophen-2-ylmethoxy]naphthalen-1-yl]piperazine
CID 174316421

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine (CID 22115685) is 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine is Cc1cccc(CCCOc2ccc3cccc(N4CCN(C)CC4)c3c2)n1.
What is the InChIKey of 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine?
The InChIKey is LSWXSAQPSNCXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-19-6-3-8-21(25-19)9-5-17-28-22-12-11-20-7-4-10-24(23(20)18-22)27-15-13-26(2)14-16-27/h3-4,6-8,10-12,18H,5,9,13-17H2,1-2H3.
What are the key properties of 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine has a molecular weight of 375.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 22115685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).