1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium

C25H37N2O4+ — CID 4536710

IUPAC1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium
SMILESCOc1ccccc1N1CC[NH+](CCCCCCOc2c(OC)cccc2OC)CC1
InChIInChI=1S/C25H36N2O4/c1-28-22-12-7-6-11-21(22)27-18-16-26(17-19-27)15-8-4-5-9-20-31-25-23(29-2)13-10-14-24(25)30-3/h6-7,10-14H,4-5,8-9,15-20H2,1-3H3/p+1
InChIKeyHAHLLJRKAUQGPT-UHFFFAOYSA-O
MW429.58 g/mol
LogP3.06
Rot. Bonds12

About 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium

1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium (PubChem CID 4536710) has the molecular formula C25H37N2O4+ and a molecular weight of 429.58 g/mol. Its IUPAC name is 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium
PubChem CID4536710
Molecular FormulaC25H37N2O4+
Molecular Weight429.58 g/mol
Exact Mass429.27
IUPAC Name1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium
SMILESCOc1ccccc1N1CC[NH+](CCCCCCOc2c(OC)cccc2OC)CC1
InChIInChI=1S/C25H36N2O4/c1-28-22-12-7-6-11-21(22)27-18-16-26(17-19-27)15-8-4-5-9-20-31-25-23(29-2)13-10-14-24(25)30-3/h6-7,10-14H,4-5,8-9,15-20H2,1-3H3/p+1
InChIKeyHAHLLJRKAUQGPT-UHFFFAOYSA-O
XLogP3.06
TPSA44.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7070607
bis(2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione);dibromide;hydrate
CID 139063276
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
CID 6928637
3-[3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 7360410
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]benzamide
CID 7211458
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-(2-methoxyphenoxy)ethyl]-4-phenylpiperazin-1-ium
CID 4541365
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7441236
1-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium
CID 6940058

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The IUPAC name of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium (CID 4536710) is 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium.
What is the SMILES notation for 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The canonical SMILES for 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium is COc1ccccc1N1CC[NH+](CCCCCCOc2c(OC)cccc2OC)CC1.
What is the InChIKey of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The InChIKey is HAHLLJRKAUQGPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H36N2O4/c1-28-22-12-7-6-11-21(22)27-18-16-26(17-19-27)15-8-4-5-9-20-31-25-23(29-2)13-10-14-24(25)30-3/h6-7,10-14H,4-5,8-9,15-20H2,1-3H3/p+1.
What are the key properties of 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium?
1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium has a molecular weight of 429.58 g/mol, XLogP of 3.06, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dimethoxyphenoxy)hexyl]-4-(2-methoxyphenyl)piperazin-1-ium is sourced from PubChem (CID 4536710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).