1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium

C19H25N2O+ — CID 6940048

IUPAC1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2cccc(C)c2)CC1
InChIInChI=1S/C19H24N2O/c1-16-6-5-7-17(14-16)15-20-10-12-21(13-11-20)18-8-3-4-9-19(18)22-2/h3-9,14H,10-13,15H2,1-2H3/p+1
InChIKeyZGUNLOZXOZVAKX-UHFFFAOYSA-O
MW297.42 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium

1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium (PubChem CID 6940048) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
PubChem CID6940048
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC Name1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2cccc(C)c2)CC1
InChIInChI=1S/C19H24N2O/c1-16-6-5-7-17(14-16)15-20-10-12-21(13-11-20)18-8-3-4-9-19(18)22-2/h3-9,14H,10-13,15H2,1-2H3/p+1
InChIKeyZGUNLOZXOZVAKX-UHFFFAOYSA-O
XLogP1.91
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6968377
1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
1-(2-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6928608
methyl 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 8687208
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-(2-ethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6940003
1-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium
CID 6940058
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
CID 6928637
N,N-diethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]aniline
CID 7440843
1-(2-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6936837
4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]aniline
CID 9161564
methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 6926435

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium (CID 6940048) is 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium is COc1ccccc1N1CC[NH+](Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium?
The InChIKey is ZGUNLOZXOZVAKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O/c1-16-6-5-7-17(14-16)15-20-10-12-21(13-11-20)18-8-3-4-9-19(18)22-2/h3-9,14H,10-13,15H2,1-2H3/p+1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium?
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium has a molecular weight of 297.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium is sourced from PubChem (CID 6940048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).