4-(2-aminoethyl)-1-methylpiperazin-2-one

C7H15N3O — CID 64680684

IUPAC4-(2-aminoethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CCN)CC1=O
InChIInChI=1S/C7H15N3O/c1-9-4-5-10(3-2-8)6-7(9)11/h2-6,8H2,1H3
InChIKeyWXEPBEURAILKFS-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.28
Rot. Bonds2

About 4-(2-aminoethyl)-1-methylpiperazin-2-one

4-(2-aminoethyl)-1-methylpiperazin-2-one (PubChem CID 64680684) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-methylpiperazin-2-one
PubChem CID64680684
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name4-(2-aminoethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(CCN)CC1=O
InChIInChI=1S/C7H15N3O/c1-9-4-5-10(3-2-8)6-7(9)11/h2-6,8H2,1H3
InChIKeyWXEPBEURAILKFS-UHFFFAOYSA-N
XLogP-1.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.28
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-methylpiperazin-2-one?
The IUPAC name of 4-(2-aminoethyl)-1-methylpiperazin-2-one (CID 64680684) is 4-(2-aminoethyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-1-methylpiperazin-2-one is CN1CCN(CCN)CC1=O.
What is the InChIKey of 4-(2-aminoethyl)-1-methylpiperazin-2-one?
The InChIKey is WXEPBEURAILKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-4-5-10(3-2-8)6-7(9)11/h2-6,8H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-methylpiperazin-2-one?
4-(2-aminoethyl)-1-methylpiperazin-2-one has a molecular weight of 157.22 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64680684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).