1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone

C11H22N2O — CID 82241179

IUPAC1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10-6-12-11(4,5)7-13(10)9(3)14/h8,10,12H,6-7H2,1-5H3
InChIKeyAELNNSAAXSBRKI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds1

About 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone

1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 82241179) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID82241179
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10-6-12-11(4,5)7-13(10)9(3)14/h8,10,12H,6-7H2,1-5H3
InChIKeyAELNNSAAXSBRKI-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 82243727
1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82240896
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-2-phenoxyethanone
CID 82250748
(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 82248799
2-methyl-1-(2,5,5-trimethylpiperazin-1-yl)propan-1-one
CID 82241166
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 82243729

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone (CID 82241179) is 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is AELNNSAAXSBRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)10-6-12-11(4,5)7-13(10)9(3)14/h8,10,12H,6-7H2,1-5H3.
What are the key properties of 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone?
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82241179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).