(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone

C15H22N2O2 — CID 82266893

IUPAC(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone
SMILESCCOc1c(C)ccc(C)c1C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-4-19-14-12(3)6-5-11(2)13(14)15(18)17-9-7-16-8-10-17/h5-6,16H,4,7-10H2,1-3H3
InChIKeySOAAFTRXLJVMAS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.75
Rot. Bonds3

About (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone

(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone (PubChem CID 82266893) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone
PubChem CID82266893
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone
SMILESCCOc1c(C)ccc(C)c1C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-4-19-14-12(3)6-5-11(2)13(14)15(18)17-9-7-16-8-10-17/h5-6,16H,4,7-10H2,1-3H3
InChIKeySOAAFTRXLJVMAS-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone (CID 82266893) is (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone is CCOc1c(C)ccc(C)c1C(=O)N1CCNCC1.
What is the InChIKey of (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone?
The InChIKey is SOAAFTRXLJVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-14-12(3)6-5-11(2)13(14)15(18)17-9-7-16-8-10-17/h5-6,16H,4,7-10H2,1-3H3.
What are the key properties of (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone?
(2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone has a molecular weight of 262.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3,6-dimethylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82266893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).