2-phenoxy-1-piperazin-1-ylethanone

C12H16N2O2 — CID 771959

IUPAC2-phenoxy-1-piperazin-1-ylethanone
SMILESO=C(COc1ccccc1)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)10-16-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyXZCPXUCNSORUCQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.50
Rot. Bonds3

About 2-phenoxy-1-piperazin-1-ylethanone

2-phenoxy-1-piperazin-1-ylethanone (PubChem CID 771959) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-phenoxy-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-phenoxy-1-piperazin-1-ylethanone
PubChem CID771959
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-phenoxy-1-piperazin-1-ylethanone
SMILESO=C(COc1ccccc1)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)10-16-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyXZCPXUCNSORUCQ-UHFFFAOYSA-N
XLogP0.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-piperazin-1-ylethanone?
The IUPAC name of 2-phenoxy-1-piperazin-1-ylethanone (CID 771959) is 2-phenoxy-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-phenoxy-1-piperazin-1-ylethanone?
The canonical SMILES for 2-phenoxy-1-piperazin-1-ylethanone is O=C(COc1ccccc1)N1CCNCC1.
What is the InChIKey of 2-phenoxy-1-piperazin-1-ylethanone?
The InChIKey is XZCPXUCNSORUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)10-16-11-4-2-1-3-5-11/h1-5,13H,6-10H2.
What are the key properties of 2-phenoxy-1-piperazin-1-ylethanone?
2-phenoxy-1-piperazin-1-ylethanone has a molecular weight of 220.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-piperazin-1-ylethanone is sourced from PubChem (CID 771959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).