1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone

C13H19N3O — CID 59454370

IUPAC1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
SMILESCNc1ccccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H19N3O/c1-11(17)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14-2/h3-6,14H,7-10H2,1-2H3
InChIKeyNWKJTADBZJXRNK-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.40
Rot. Bonds2

About 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone

1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone (PubChem CID 59454370) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
PubChem CID59454370
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
SMILESCNc1ccccc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H19N3O/c1-11(17)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14-2/h3-6,14H,7-10H2,1-2H3
InChIKeyNWKJTADBZJXRNK-UHFFFAOYSA-N
XLogP1.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone (CID 59454370) is 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone is CNc1ccccc1N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone?
The InChIKey is NWKJTADBZJXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(17)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14-2/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone?
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone has a molecular weight of 233.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59454370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).