(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one

C11H22N2O — CID 59979591

IUPAC(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
SMILESC[C@H](C(=O)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-9(11(2,3)4)10(14)13-7-5-12-6-8-13/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyLTTJQTOPCIXWRG-SECBINFHSA-N
MW198.31 g/mol
LogP1.10
Rot. Bonds1

About (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one

(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one (PubChem CID 59979591) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
PubChem CID59979591
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
SMILESC[C@H](C(=O)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-9(11(2,3)4)10(14)13-7-5-12-6-8-13/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyLTTJQTOPCIXWRG-SECBINFHSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 77436471
3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide
CID 82020291
1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
CID 119374050
1-(1,4-diazepan-1-yl)-2-(dimethylamino)-3-methylbutan-1-one;dihydrochloride
CID 119415773
tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
CID 175810049
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
2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
CID 43128287
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62089527

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one (CID 59979591) is (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one is C[C@H](C(=O)N1CCNCC1)C(C)(C)C.
What is the InChIKey of (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is LTTJQTOPCIXWRG-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(11(2,3)4)10(14)13-7-5-12-6-8-13/h9,12H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one?
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 59979591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).