4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one

C11H23N3O — CID 112546736

IUPAC4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(CCN)CC(=O)N1C
InChIInChI=1S/C11H23N3O/c1-9(2)6-10-7-14(5-4-12)8-11(15)13(10)3/h9-10H,4-8,12H2,1-3H3
InChIKeyQKDMHODUTMLDKK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.13
Rot. Bonds4

About 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one

4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one (PubChem CID 112546736) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one
PubChem CID112546736
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(CCN)CC(=O)N1C
InChIInChI=1S/C11H23N3O/c1-9(2)6-10-7-14(5-4-12)8-11(15)13(10)3/h9-10H,4-8,12H2,1-3H3
InChIKeyQKDMHODUTMLDKK-UHFFFAOYSA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one (CID 112546736) is 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one is CC(C)CC1CN(CCN)CC(=O)N1C.
What is the InChIKey of 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one?
The InChIKey is QKDMHODUTMLDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)6-10-7-14(5-4-12)8-11(15)13(10)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one?
4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 112546736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).