3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one

C13H28N4O — CID 64679136

IUPAC3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCN(C)CCN1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,14)11-12(18)17-9-7-16(8-10-17)6-5-15(3)4/h5-11,14H2,1-4H3
InChIKeyBUZHDEMWHZQORK-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.18
Rot. Bonds5

About 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one

3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 64679136) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID64679136
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCN(C)CCN1CCN(C(=O)CC(C)(C)N)CC1
InChIInChI=1S/C13H28N4O/c1-13(2,14)11-12(18)17-9-7-16(8-10-17)6-5-15(3)4/h5-11,14H2,1-4H3
InChIKeyBUZHDEMWHZQORK-UHFFFAOYSA-N
XLogP-0.18
TPSA52.81 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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935451
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940
2-bromo-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 114328631
7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
CID 62888089
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)propan-1-one
CID 55128614
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
CID 60712478
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
CID 64677969
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one (CID 64679136) is 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one is CN(C)CCN1CCN(C(=O)CC(C)(C)N)CC1.
What is the InChIKey of 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is BUZHDEMWHZQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-13(2,14)11-12(18)17-9-7-16(8-10-17)6-5-15(3)4/h5-11,14H2,1-4H3.
What are the key properties of 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one?
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 256.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 64679136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).