5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one

C13H26N2O — CID 115273038

IUPAC5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
SMILESCC1CNCCN1C(=O)CCCC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-11-10-14-8-9-15(11)12(16)6-5-7-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyONIIADMEYJFTOH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one

5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one (PubChem CID 115273038) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
PubChem CID115273038
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
SMILESCC1CNCCN1C(=O)CCCC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-11-10-14-8-9-15(11)12(16)6-5-7-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyONIIADMEYJFTOH-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
CID 115273063
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
1-(2-methylpiperazin-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one;hydrochloride
CID 119469976
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
2-(2-methoxyethoxy)-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 103866742
5-(4-bromophenoxy)-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119470273

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one (CID 115273038) is 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one is CC1CNCCN1C(=O)CCCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
The InChIKey is ONIIADMEYJFTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-10-14-8-9-15(11)12(16)6-5-7-13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one?
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 115273038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).