2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol

C20H27N2O4+ — CID 6961984

IUPAC2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1
InChIInChI=1S/C20H26N2O4/c1-24-17-7-5-4-6-16(17)22-10-8-21(9-11-22)14-15-12-18(25-2)20(23)19(13-15)26-3/h4-7,12-13,23H,8-11,14H2,1-3H3/p+1
InChIKeySSGVXFFWIUCKQI-UHFFFAOYSA-O
MW359.45 g/mol
LogP1.32
Rot. Bonds6

About 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol

2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol (PubChem CID 6961984) has the molecular formula C20H27N2O4+ and a molecular weight of 359.45 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
PubChem CID6961984
Molecular FormulaC20H27N2O4+
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1
InChIInChI=1S/C20H26N2O4/c1-24-17-7-5-4-6-16(17)22-10-8-21(9-11-22)14-15-12-18(25-2)20(23)19(13-15)26-3/h4-7,12-13,23H,8-11,14H2,1-3H3/p+1
InChIKeySSGVXFFWIUCKQI-UHFFFAOYSA-O
XLogP1.32
TPSA55.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol with MolForge

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
1-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6968377
1-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium
CID 6940058
methyl 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 6926435
methyl 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 8687208
1-(2-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6928608
N,N-diethyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]aniline
CID 7440843
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium
CID 6975358
2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 42185128
5-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CID 42223850
4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methylfuran-2-carboxylate
CID 42234290

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol (CID 6961984) is 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol is COc1ccccc1N1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1.
What is the InChIKey of 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol?
The InChIKey is SSGVXFFWIUCKQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O4/c1-24-17-7-5-4-6-16(17)22-10-8-21(9-11-22)14-15-12-18(25-2)20(23)19(13-15)26-3/h4-7,12-13,23H,8-11,14H2,1-3H3/p+1.
What are the key properties of 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol?
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol has a molecular weight of 359.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol is sourced from PubChem (CID 6961984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).