1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine

C21H28N2O — CID 170863135

IUPAC1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
SMILESCOc1ccccc1-c1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)13-5-6-18-9-11-19(12-10-18)20-7-3-4-8-21(20)24-2/h3-4,7-12H,5-6,13-17H2,1-2H3
InChIKeyDGSGASLLQWQHFW-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.54
Rot. Bonds6

About 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine

1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine (PubChem CID 170863135) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
PubChem CID170863135
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
SMILESCOc1ccccc1-c1ccc(CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)13-5-6-18-9-11-19(12-10-18)20-7-3-4-8-21(20)24-2/h3-4,7-12H,5-6,13-17H2,1-2H3
InChIKeyDGSGASLLQWQHFW-UHFFFAOYSA-N
XLogP3.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
1-[3-[4-(cyclopropylmethoxy)-3-phenylphenyl]propyl]-4-methylpiperazine
CID 170863809
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
CID 170863336
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine (CID 170863135) is 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine is COc1ccccc1-c1ccc(CCCN2CCN(C)CC2)cc1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine?
The InChIKey is DGSGASLLQWQHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)13-5-6-18-9-11-19(12-10-18)20-7-3-4-8-21(20)24-2/h3-4,7-12H,5-6,13-17H2,1-2H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine?
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine has a molecular weight of 324.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).