1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one

C17H26N2O2 — CID 903146

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-8-6-5-7-15(16)18-9-11-19(12-10-18)17(20)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyKRYKOJXAHYZRBX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 903146) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID903146
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-8-6-5-7-15(16)18-9-11-19(12-10-18)17(20)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3
InChIKeyKRYKOJXAHYZRBX-UHFFFAOYSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one (CID 903146) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one is CCOc1ccccc1N1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is KRYKOJXAHYZRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-16-8-6-5-7-15(16)18-9-11-19(12-10-18)17(20)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 903146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).