1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium

C22H25N2O+ — CID 6928637

IUPAC1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H24N2O/c1-25-22-12-5-4-11-21(22)24-15-13-23(14-16-24)17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3/p+1
InChIKeyWTZCWBWHXYBJIV-UHFFFAOYSA-O
MW333.46 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium

1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium (PubChem CID 6928637) has the molecular formula C22H25N2O+ and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
PubChem CID6928637
Molecular FormulaC22H25N2O+
Molecular Weight333.46 g/mol
Exact Mass333.20
IUPAC Name1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H24N2O/c1-25-22-12-5-4-11-21(22)24-15-13-23(14-16-24)17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3/p+1
InChIKeyWTZCWBWHXYBJIV-UHFFFAOYSA-O
XLogP2.75
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium
CID 7101668
2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 42185128
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
1-(2-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium
CID 6983019
1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6968377
1-(2-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6928608
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate
CID 7440633
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
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
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7441236
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7070607

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium?
The IUPAC name of 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium (CID 6928637) is 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium is COc1ccccc1N1CC[NH+](Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium?
The InChIKey is WTZCWBWHXYBJIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O/c1-25-22-12-5-4-11-21(22)24-15-13-23(14-16-24)17-19-9-6-8-18-7-2-3-10-20(18)19/h2-12H,13-17H2,1H3/p+1.
What are the key properties of 1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium?
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium has a molecular weight of 333.46 g/mol, XLogP of 2.75, 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-(naphthalen-1-ylmethyl)piperazin-4-ium is sourced from PubChem (CID 6928637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).