4-[1-(4-chlorophenyl)ethyl]piperazin-2-one

C12H15ClN2O — CID 47358336

IUPAC4-[1-(4-chlorophenyl)ethyl]piperazin-2-one
SMILESCC(c1ccc(Cl)cc1)N1CCNC(=O)C1
InChIInChI=1S/C12H15ClN2O/c1-9(10-2-4-11(13)5-3-10)15-7-6-14-12(16)8-15/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyOEZDNVOEEBHGSQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.83
Rot. Bonds2

About 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one

4-[1-(4-chlorophenyl)ethyl]piperazin-2-one (PubChem CID 47358336) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethyl]piperazin-2-one
PubChem CID47358336
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-[1-(4-chlorophenyl)ethyl]piperazin-2-one
SMILESCC(c1ccc(Cl)cc1)N1CCNC(=O)C1
InChIInChI=1S/C12H15ClN2O/c1-9(10-2-4-11(13)5-3-10)15-7-6-14-12(16)8-15/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyOEZDNVOEEBHGSQ-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one?
The IUPAC name of 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one (CID 47358336) is 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one is CC(c1ccc(Cl)cc1)N1CCNC(=O)C1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one?
The InChIKey is OEZDNVOEEBHGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9(10-2-4-11(13)5-3-10)15-7-6-14-12(16)8-15/h2-5,9H,6-8H2,1H3,(H,14,16).
What are the key properties of 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one?
4-[1-(4-chlorophenyl)ethyl]piperazin-2-one has a molecular weight of 238.72 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethyl]piperazin-2-one is sourced from PubChem (CID 47358336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).