4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one

C8H17N3O — CID 63596626

IUPAC4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CCN
InChIInChI=1S/C8H17N3O/c1-8(2)7(12)10-4-6-11(8)5-3-9/h3-6,9H2,1-2H3,(H,10,12)
InChIKeyCWFHGLRAJPMHCK-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds2

About 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one

4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63596626) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
PubChem CID63596626
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CCN
InChIInChI=1S/C8H17N3O/c1-8(2)7(12)10-4-6-11(8)5-3-9/h3-6,9H2,1-2H3,(H,10,12)
InChIKeyCWFHGLRAJPMHCK-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one (CID 63596626) is 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is CWFHGLRAJPMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(2)7(12)10-4-6-11(8)5-3-9/h3-6,9H2,1-2H3,(H,10,12).
What are the key properties of 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one?
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63596626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).