2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride

C8H19Cl2N3O — CID 42940664

IUPAC2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride
SMILESCN(C)CC(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-10(2)7-8(12)11-5-3-9-4-6-11;;/h9H,3-7H2,1-2H3;2*1H
InChIKeyRGMPEYBWSMUGMZ-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.18
Rot. Bonds2

About 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride

2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride (PubChem CID 42940664) has the molecular formula C8H19Cl2N3O and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride
PubChem CID42940664
Molecular FormulaC8H19Cl2N3O
Molecular Weight244.17 g/mol
Exact Mass243.09
IUPAC Name2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride
SMILESCN(C)CC(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-10(2)7-8(12)11-5-3-9-4-6-11;;/h9H,3-7H2,1-2H3;2*1H
InChIKeyRGMPEYBWSMUGMZ-UHFFFAOYSA-N
XLogP-0.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetylpiperazine
CID 83795
1-Ethyl-2,3-piperazinedione
CID 108812
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
Piperazin-2-one
CID 231360
N-isopropyl-1-piperazineacetamide
CID 100826
2,3-Piperazinedione, 1-methyl-
CID 3042433
1-Methylpiperazine-2,5-dione
CID 260137
1-Methyl-3-oxopiperazine
CID 13704283
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
2,3-Piperazinedione, 1-butyl-
CID 200627
Acetamide, N-(2-(diethylamino)ethyl)-2-(dimethylamino)-
CID 3086952
1-Methylpiperazin-2-one
CID 4399042

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride (CID 42940664) is 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride is CN(C)CC(=O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride?
The InChIKey is RGMPEYBWSMUGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.2ClH/c1-10(2)7-8(12)11-5-3-9-4-6-11;;/h9H,3-7H2,1-2H3;2*1H.
What are the key properties of 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride?
2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride has a molecular weight of 244.17 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-piperazin-1-ylethanone;dihydrochloride is sourced from PubChem (CID 42940664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).