2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine

C17H26N2O — CID 120757831

IUPAC2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
SMILESCCc1ccc(C2CNCCN2CC2CCOC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-14-3-5-16(6-4-14)17-11-18-8-9-19(17)12-15-7-10-20-13-15/h3-6,15,17-18H,2,7-13H2,1H3
InChIKeyAKNGPZYWRVCPSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.23
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine

2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 120757831) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
PubChem CID120757831
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
SMILESCCc1ccc(C2CNCCN2CC2CCOC2)cc1
InChIInChI=1S/C17H26N2O/c1-2-14-3-5-16(6-4-14)17-11-18-8-9-19(17)12-15-7-10-20-13-15/h3-6,15,17-18H,2,7-13H2,1H3
InChIKeyAKNGPZYWRVCPSA-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine (CID 120757831) is 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine is CCc1ccc(C2CNCCN2CC2CCOC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is AKNGPZYWRVCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-14-3-5-16(6-4-14)17-11-18-8-9-19(17)12-15-7-10-20-13-15/h3-6,15,17-18H,2,7-13H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine?
2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 120757831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).