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

C17H23N2OS+ — CID 6944083

IUPAC1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2sccc2C)CC1
InChIInChI=1S/C17H22N2OS/c1-14-7-12-21-17(14)13-18-8-10-19(11-9-18)15-5-3-4-6-16(15)20-2/h3-7,12H,8-11,13H2,1-2H3/p+1
InChIKeyQZLGFQDZFXWZBV-UHFFFAOYSA-O
MW303.45 g/mol
LogP1.97
Rot. Bonds4

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

1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium (PubChem CID 6944083) has the molecular formula C17H23N2OS+ and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium
PubChem CID6944083
Molecular FormulaC17H23N2OS+
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2sccc2C)CC1
InChIInChI=1S/C17H22N2OS/c1-14-7-12-21-17(14)13-18-8-10-19(11-9-18)15-5-3-4-6-16(15)20-2/h3-7,12H,8-11,13H2,1-2H3/p+1
InChIKeyQZLGFQDZFXWZBV-UHFFFAOYSA-O
XLogP1.97
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
1-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium
CID 6940058
2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine
CID 6936919
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
CID 6928637
1-[(5-bromofuran-2-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6982995
1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6968377
1-(2-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6928608
1-(2-ethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6940003
N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8687300
N,N-diethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]aniline
CID 7440843

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium (CID 6944083) is 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium is COc1ccccc1N1CC[NH+](Cc2sccc2C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium?
The InChIKey is QZLGFQDZFXWZBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N2OS/c1-14-7-12-21-17(14)13-18-8-10-19(11-9-18)15-5-3-4-6-16(15)20-2/h3-7,12H,8-11,13H2,1-2H3/p+1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium?
1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium has a molecular weight of 303.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium is sourced from PubChem (CID 6944083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).