1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium

C23H34N2O+2 — CID 7479474

IUPAC1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H32N2O/c1-4-24-14-16-25(17-15-24)18-19-26-22-12-10-21(11-13-22)23(2,3)20-8-6-5-7-9-20/h5-13H,4,14-19H2,1-3H3/p+2
InChIKeyAHLCIIOKZHMFPB-UHFFFAOYSA-P
MW354.54 g/mol
LogP1.19
Rot. Bonds7

About 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium

1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium (PubChem CID 7479474) has the molecular formula C23H34N2O+2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
PubChem CID7479474
Molecular FormulaC23H34N2O+2
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
SMILESCC[NH+]1CC[NH+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H32N2O/c1-4-24-14-16-25(17-15-24)18-19-26-22-12-10-21(11-13-22)23(2,3)20-8-6-5-7-9-20/h5-13H,4,14-19H2,1-3H3/p+2
InChIKeyAHLCIIOKZHMFPB-UHFFFAOYSA-P
XLogP1.19
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484376
1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazine-1,4-diium
CID 2194699
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine-1,4-diium
CID 7479388
1-ethyl-4-[3-(4-phenylphenoxy)propyl]piperazine-1,4-diium
CID 7126678
1-ethyl-4-[2-(3-phenoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484402
1-[4-(4-benzylphenoxy)butyl]-4-ethylpiperazine-1,4-diium
CID 7479408
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
CID 7410765
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7443365
1-[2-(4-methoxyphenoxy)ethyl]azepan-1-ium
CID 7412859
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
(1S,2S)-1-(furan-2-yl)-2-phenyl-1-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-1-ol
CID 7054994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium?
The IUPAC name of 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium (CID 7479474) is 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium is CC[NH+]1CC[NH+](CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium?
The InChIKey is AHLCIIOKZHMFPB-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H32N2O/c1-4-24-14-16-25(17-15-24)18-19-26-22-12-10-21(11-13-22)23(2,3)20-8-6-5-7-9-20/h5-13H,4,14-19H2,1-3H3/p+2.
What are the key properties of 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium?
1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium has a molecular weight of 354.54 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7479474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).