1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium

C22H32N2+2 — CID 6981095

IUPAC1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium
SMILESCCc1ccc(C[NH+]2CC[NH+](Cc3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C22H30N2/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22/h5-12H,3-4,13-18H2,1-2H3/p+2
InChIKeyQBGZWAOKVWUNSN-UHFFFAOYSA-P
MW324.51 g/mol
LogP1.29
Rot. Bonds6

About 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium

1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium (PubChem CID 6981095) has the molecular formula C22H32N2+2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium
PubChem CID6981095
Molecular FormulaC22H32N2+2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium
SMILESCCc1ccc(C[NH+]2CC[NH+](Cc3ccc(CC)cc3)CC2)cc1
InChIInChI=1S/C22H30N2/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22/h5-12H,3-4,13-18H2,1-2H3/p+2
InChIKeyQBGZWAOKVWUNSN-UHFFFAOYSA-P
XLogP1.29
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium
CID 4741555
1-[(2S)-butan-2-yl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 6988385
1-[(4-ethylphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 7027955
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
3-[[4-[(4-ethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole
CID 4745832
1-(benzenesulfonyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium
CID 4743473
1,4-diethylbenzene;ethane
CID 91207141
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium
CID 6920428
1,4-diethylbenzene;ethane;methane
CID 166131756
1-[(4-bromophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium
CID 7478090
CID 57436075
CID 57436075

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium (CID 6981095) is 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium is CCc1ccc(C[NH+]2CC[NH+](Cc3ccc(CC)cc3)CC2)cc1.
What is the InChIKey of 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium?
The InChIKey is QBGZWAOKVWUNSN-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H30N2/c1-3-19-5-9-21(10-6-19)17-23-13-15-24(16-14-23)18-22-11-7-20(4-2)8-12-22/h5-12H,3-4,13-18H2,1-2H3/p+2.
What are the key properties of 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium?
1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium has a molecular weight of 324.51 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-ethylphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 6981095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).