2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one

C11H23N3O — CID 82508777

IUPAC2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCC(C)C(C(=O)N1CCNCC1)N(C)C
InChIInChI=1S/C11H23N3O/c1-9(2)10(13(3)4)11(15)14-7-5-12-6-8-14/h9-10,12H,5-8H2,1-4H3
InChIKeyNZSWRTQSYPOKAM-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.00
Rot. Bonds3

About 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one

2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 82508777) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID82508777
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCC(C)C(C(=O)N1CCNCC1)N(C)C
InChIInChI=1S/C11H23N3O/c1-9(2)10(13(3)4)11(15)14-7-5-12-6-8-14/h9-10,12H,5-8H2,1-4H3
InChIKeyNZSWRTQSYPOKAM-UHFFFAOYSA-N
XLogP0.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119415773
(2R)-2-(dimethylamino)-3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 71000045
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-cyclopropyl-2-(dimethylamino)-1-piperazin-1-ylethanone
CID 82508389
2-(dimethylamino)-3-methyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119561287
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
CID 90923181
N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
1-[4-(aminomethyl)piperidin-1-yl]-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119423303
2-(3-methylbutan-2-ylsulfinyl)-1-piperazin-1-ylpropan-1-one
CID 112741787
2-(3-methylbutan-2-ylsulfanyl)-1-piperazin-1-ylpropan-1-one
CID 107754716

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one (CID 82508777) is 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one is CC(C)C(C(=O)N1CCNCC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is NZSWRTQSYPOKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)10(13(3)4)11(15)14-7-5-12-6-8-14/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one?
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82508777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).