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

C25H30N2O+2 — CID 7375832

IUPAC1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
SMILESc1ccc(C[NH+]2CC[NH+](CCOc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-27-17-15-26(16-18-27)19-20-28-25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-14H,15-21H2/p+2
InChIKeyQWOQLDRAMUPTCP-UHFFFAOYSA-P
MW374.53 g/mol
LogP1.72
Rot. Bonds7

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

1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium (PubChem CID 7375832) has the molecular formula C25H30N2O+2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
PubChem CID7375832
Molecular FormulaC25H30N2O+2
Molecular Weight374.53 g/mol
Exact Mass374.23
IUPAC Name1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
SMILESc1ccc(C[NH+]2CC[NH+](CCOc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-27-17-15-26(16-18-27)19-20-28-25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-14H,15-21H2/p+2
InChIKeyQWOQLDRAMUPTCP-UHFFFAOYSA-P
XLogP1.72
TPSA18.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7442998
(3S,5S)-3,5-dimethyl-1-[2-(2-phenylphenoxy)ethyl]piperidin-1-ium
CID 7410857
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888
4-[2-(2-phenylmethoxyphenoxy)ethyl]morpholin-4-ium
CID 7379859
4-(2-phenylphenoxy)butanenitrile
CID 14751947
4-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidin-1-ium
CID 7375813
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9180755

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
The IUPAC name of 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium (CID 7375832) is 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium is c1ccc(C[NH+]2CC[NH+](CCOc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
The InChIKey is QWOQLDRAMUPTCP-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H28N2O/c1-3-9-22(10-4-1)21-27-17-15-26(16-18-27)19-20-28-25-14-8-7-13-24(25)23-11-5-2-6-12-23/h1-14H,15-21H2/p+2.
What are the key properties of 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium has a molecular weight of 374.53 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7375832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).