2-(4-chlorophenoxy)-1-piperazin-1-ylethanone

C12H15ClN2O2 — CID 1074760

IUPAC2-(4-chlorophenoxy)-1-piperazin-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKeyTYCJFZIWSCJVJW-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone

2-(4-chlorophenoxy)-1-piperazin-1-ylethanone (PubChem CID 1074760) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-piperazin-1-ylethanone
PubChem CID1074760
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(4-chlorophenoxy)-1-piperazin-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKeyTYCJFZIWSCJVJW-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone (CID 1074760) is 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone is O=C(COc1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone?
The InChIKey is TYCJFZIWSCJVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2.
What are the key properties of 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone?
2-(4-chlorophenoxy)-1-piperazin-1-ylethanone has a molecular weight of 254.72 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-piperazin-1-ylethanone is sourced from PubChem (CID 1074760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).