4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one

C14H21N3O — CID 117371658

IUPAC4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
SMILESCC(N)Cc1ccccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C14H21N3O/c1-11(15)9-12-5-3-4-6-13(12)17-8-7-16(2)14(18)10-17/h3-6,11H,7-10,15H2,1-2H3
InChIKeyYSHHRRAYCHAEIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one

4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one (PubChem CID 117371658) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
PubChem CID117371658
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
SMILESCC(N)Cc1ccccc1N1CCN(C)C(=O)C1
InChIInChI=1S/C14H21N3O/c1-11(15)9-12-5-3-4-6-13(12)17-8-7-16(2)14(18)10-17/h3-6,11H,7-10,15H2,1-2H3
InChIKeyYSHHRRAYCHAEIH-UHFFFAOYSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one (CID 117371658) is 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one is CC(N)Cc1ccccc1N1CCN(C)C(=O)C1.
What is the InChIKey of 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one?
The InChIKey is YSHHRRAYCHAEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)9-12-5-3-4-6-13(12)17-8-7-16(2)14(18)10-17/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one?
4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 117371658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).