4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one

C10H21N3O — CID 112546488

IUPAC4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CNC(=O)CN1CCN
InChIInChI=1S/C10H21N3O/c1-8(2)5-9-6-12-10(14)7-13(9)4-3-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyDLRYRZRXIRZCRP-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds4

About 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one

4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one (PubChem CID 112546488) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one
PubChem CID112546488
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CNC(=O)CN1CCN
InChIInChI=1S/C10H21N3O/c1-8(2)5-9-6-12-10(14)7-13(9)4-3-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyDLRYRZRXIRZCRP-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one (CID 112546488) is 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one is CC(C)CC1CNC(=O)CN1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one?
The InChIKey is DLRYRZRXIRZCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)5-9-6-12-10(14)7-13(9)4-3-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one?
4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 112546488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).