4-[4-(2-aminoethyl)phenyl]piperazin-2-one

C12H17N3O — CID 83822156

IUPAC4-[4-(2-aminoethyl)phenyl]piperazin-2-one
SMILESNCCc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H17N3O/c13-6-5-10-1-3-11(4-2-10)15-8-7-14-12(16)9-15/h1-4H,5-9,13H2,(H,14,16)
InChIKeyYEECWKCIDXTJRW-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.12
Rot. Bonds3

About 4-[4-(2-aminoethyl)phenyl]piperazin-2-one

4-[4-(2-aminoethyl)phenyl]piperazin-2-one (PubChem CID 83822156) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenyl]piperazin-2-one
PubChem CID83822156
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[4-(2-aminoethyl)phenyl]piperazin-2-one
SMILESNCCc1ccc(N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H17N3O/c13-6-5-10-1-3-11(4-2-10)15-8-7-14-12(16)9-15/h1-4H,5-9,13H2,(H,14,16)
InChIKeyYEECWKCIDXTJRW-UHFFFAOYSA-N
XLogP0.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-[4-(2-aminoethyl)phenyl]piperazin-2-one (CID 83822156) is 4-[4-(2-aminoethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[4-(2-aminoethyl)phenyl]piperazin-2-one is NCCc1ccc(N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenyl]piperazin-2-one?
The InChIKey is YEECWKCIDXTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-6-5-10-1-3-11(4-2-10)15-8-7-14-12(16)9-15/h1-4H,5-9,13H2,(H,14,16).
What are the key properties of 4-[4-(2-aminoethyl)phenyl]piperazin-2-one?
4-[4-(2-aminoethyl)phenyl]piperazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 83822156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).