3-(dimethylamino)-1-piperazin-2-ylpropan-1-one

C9H19N3O — CID 69120144

IUPAC3-(dimethylamino)-1-piperazin-2-ylpropan-1-one
SMILESCN(C)CCC(=O)C1CNCCN1
InChIInChI=1S/C9H19N3O/c1-12(2)6-3-9(13)8-7-10-4-5-11-8/h8,10-11H,3-7H2,1-2H3
InChIKeyIEQUIBDJJRGXMI-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.93
Rot. Bonds4

About 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one

3-(dimethylamino)-1-piperazin-2-ylpropan-1-one (PubChem CID 69120144) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-piperazin-2-ylpropan-1-one
PubChem CID69120144
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(dimethylamino)-1-piperazin-2-ylpropan-1-one
SMILESCN(C)CCC(=O)C1CNCCN1
InChIInChI=1S/C9H19N3O/c1-12(2)6-3-9(13)8-7-10-4-5-11-8/h8,10-11H,3-7H2,1-2H3
InChIKeyIEQUIBDJJRGXMI-UHFFFAOYSA-N
XLogP-0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one?
The IUPAC name of 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one (CID 69120144) is 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one is CN(C)CCC(=O)C1CNCCN1.
What is the InChIKey of 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one?
The InChIKey is IEQUIBDJJRGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(2)6-3-9(13)8-7-10-4-5-11-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one?
3-(dimethylamino)-1-piperazin-2-ylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-piperazin-2-ylpropan-1-one is sourced from PubChem (CID 69120144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).