1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone

C16H33N3O — CID 165146175

IUPAC1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CC(C)N(CCCCCCN(C)C)CC1C
InChIInChI=1S/C16H33N3O/c1-14-13-19(16(3)20)15(2)12-18(14)11-9-7-6-8-10-17(4)5/h14-15H,6-13H2,1-5H3
InChIKeyXUKKKLAMTMCDHK-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.05
Rot. Bonds7

About 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone

1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone (PubChem CID 165146175) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone
PubChem CID165146175
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CC(C)N(CCCCCCN(C)C)CC1C
InChIInChI=1S/C16H33N3O/c1-14-13-19(16(3)20)15(2)12-18(14)11-9-7-6-8-10-17(4)5/h14-15H,6-13H2,1-5H3
InChIKeyXUKKKLAMTMCDHK-UHFFFAOYSA-N
XLogP2.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone (CID 165146175) is 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CC(C)N(CCCCCCN(C)C)CC1C.
What is the InChIKey of 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone?
The InChIKey is XUKKKLAMTMCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14-13-19(16(3)20)15(2)12-18(14)11-9-7-6-8-10-17(4)5/h14-15H,6-13H2,1-5H3.
What are the key properties of 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone?
1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone has a molecular weight of 283.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)hexyl]-2,5-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 165146175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).