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

C18H24N2O+2 — CID 7442998

IUPAC1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
SMILESc1ccc(-c2ccccc2OCC[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)21-15-14-20-12-10-19-11-13-20/h1-9,19H,10-15H2/p+2
InChIKeyNWZRIYUTUFNGHT-UHFFFAOYSA-P
MW284.40 g/mol
LogP0.19
Rot. Bonds5

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

1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium (PubChem CID 7442998) has the molecular formula C18H24N2O+2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
PubChem CID7442998
Molecular FormulaC18H24N2O+2
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
SMILESc1ccc(-c2ccccc2OCC[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C18H22N2O/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)21-15-14-20-12-10-19-11-13-20/h1-9,19H,10-15H2/p+2
InChIKeyNWZRIYUTUFNGHT-UHFFFAOYSA-P
XLogP0.19
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7375832
(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
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine-1,4-diium
CID 2298409
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
1-[4-(2-fluorophenoxy)butyl]piperazine-1,4-diium
CID 2194718
1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
CID 7263169
1-[2-(2,5-dimethylphenoxy)ethyl]piperazine-1,4-diium
CID 7439746
1-[2-(4-iodophenoxy)ethyl]piperazine-1,4-diium
CID 7244694
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperazine-1,4-diium
CID 7439832

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
The IUPAC name of 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium (CID 7442998) is 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium is c1ccc(-c2ccccc2OCC[NH+]2CC[NH2+]CC2)cc1.
What is the InChIKey of 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
The InChIKey is NWZRIYUTUFNGHT-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H22N2O/c1-2-6-16(7-3-1)17-8-4-5-9-18(17)21-15-14-20-12-10-19-11-13-20/h1-9,19H,10-15H2/p+2.
What are the key properties of 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium?
1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium has a molecular weight of 284.40 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7442998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).