1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one

C13H28N4O — CID 55128614

IUPAC1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,14-3)12(18)17-10-8-16(9-11-17)7-6-15(4)5/h14H,6-11H2,1-5H3
InChIKeySOFIWMFLADWQAB-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.31
Rot. Bonds5

About 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one (PubChem CID 55128614) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one
PubChem CID55128614
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,14-3)12(18)17-10-8-16(9-11-17)7-6-15(4)5/h14H,6-11H2,1-5H3
InChIKeySOFIWMFLADWQAB-UHFFFAOYSA-N
XLogP-0.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 114328631
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 62890058
2-methyl-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 62835421
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935451
tert-butyl 4-[2-(dimethylamino)ethyl]-1,4-diazepane-1-carboxylate
CID 176806608
2-methyl-2-(methylamino)-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 55122271
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
CID 62890118
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
ethane;2-methyl-2-(methylamino)-1-morpholin-4-ylpropan-1-one
CID 168940917

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one (CID 55128614) is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is SOFIWMFLADWQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-13(2,14-3)12(18)17-10-8-16(9-11-17)7-6-15(4)5/h14H,6-11H2,1-5H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one?
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 256.39 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 55128614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).