1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium

C22H32N2O2+2 — CID 7366089

IUPAC1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium
SMILESc1ccc(COCC[NH+]2CC[NH+](CCOCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2/p+2
InChIKeyJQQBBCXFNAHTTD-UHFFFAOYSA-P
MW356.51 g/mol
LogP0.20
Rot. Bonds10

About 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium

1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium (PubChem CID 7366089) has the molecular formula C22H32N2O2+2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium
PubChem CID7366089
Molecular FormulaC22H32N2O2+2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium
SMILESc1ccc(COCC[NH+]2CC[NH+](CCOCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2/p+2
InChIKeyJQQBBCXFNAHTTD-UHFFFAOYSA-P
XLogP0.20
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484376
ethane;2-phenylmethoxyethanamine
CID 142016503
CID 66734377
CID 66734377
2-iodoethoxymethylbenzene
CID 10355314
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
ethane;phenylmethoxymethylbenzene
CID 90943549
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium?
The IUPAC name of 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium (CID 7366089) is 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium.
What is the SMILES notation for 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium?
The canonical SMILES for 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium is c1ccc(COCC[NH+]2CC[NH+](CCOCc3ccccc3)CC2)cc1.
What is the InChIKey of 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium?
The InChIKey is JQQBBCXFNAHTTD-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2/p+2.
What are the key properties of 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium?
1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium has a molecular weight of 356.51 g/mol, XLogP of 0.20, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium is sourced from PubChem (CID 7366089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).