1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium

C21H30N2O2+2 — CID 7484376

IUPAC1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](CCOc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O2/c1-2-22-12-14-23(15-13-22)16-17-24-20-8-10-21(11-9-20)25-18-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3/p+2
InChIKeyLDNMVMMMAREJHB-UHFFFAOYSA-P
MW342.48 g/mol
LogP0.45
Rot. Bonds8

About 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium

1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium (PubChem CID 7484376) has the molecular formula C21H30N2O2+2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
PubChem CID7484376
Molecular FormulaC21H30N2O2+2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](CCOc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H28N2O2/c1-2-22-12-14-23(15-13-22)16-17-24-20-8-10-21(11-9-20)25-18-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3/p+2
InChIKeyLDNMVMMMAREJHB-UHFFFAOYSA-P
XLogP0.45
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 6943042
1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7479474
1-[4-(4-benzylphenoxy)butyl]-4-ethylpiperazine-1,4-diium
CID 7479408
1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazine-1,4-diium
CID 7126678
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484402
1,4-bis(2-phenylmethoxyethyl)piperazine-1,4-diium
CID 7366089
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-[2-(4-benzylphenoxy)ethyl]morpholin-4-ium
CID 7380149
N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 9091140
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium?
The IUPAC name of 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium (CID 7484376) is 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium is CC[NH+]1CC[NH+](CCOc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium?
The InChIKey is LDNMVMMMAREJHB-UHFFFAOYSA-P. The full InChI is InChI=1S/C21H28N2O2/c1-2-22-12-14-23(15-13-22)16-17-24-20-8-10-21(11-9-20)25-18-19-6-4-3-5-7-19/h3-11H,2,12-18H2,1H3/p+2.
What are the key properties of 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium?
1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium has a molecular weight of 342.48 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7484376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).