6-(3,4-dimethylpiperazin-1-yl)hexan-2-one

C12H24N2O — CID 63610626

IUPAC6-(3,4-dimethylpiperazin-1-yl)hexan-2-one
SMILESCC(=O)CCCCN1CCN(C)C(C)C1
InChIInChI=1S/C12H24N2O/c1-11-10-14(9-8-13(11)3)7-5-4-6-12(2)15/h11H,4-10H2,1-3H3
InChIKeyPVHWRAJRQJBVFL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds5

About 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one

6-(3,4-dimethylpiperazin-1-yl)hexan-2-one (PubChem CID 63610626) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)hexan-2-one
PubChem CID63610626
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)hexan-2-one
SMILESCC(=O)CCCCN1CCN(C)C(C)C1
InChIInChI=1S/C12H24N2O/c1-11-10-14(9-8-13(11)3)7-5-4-6-12(2)15/h11H,4-10H2,1-3H3
InChIKeyPVHWRAJRQJBVFL-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
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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Related Compounds

5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-2-one
CID 79943262
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
1-(4-bromophenyl)-4-(3,4-dimethylpiperazin-1-yl)butan-1-one
CID 63610961
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-one
CID 115560576
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]pentan-2-one
CID 143073916

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one (CID 63610626) is 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one is CC(=O)CCCCN1CCN(C)C(C)C1.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one?
The InChIKey is PVHWRAJRQJBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-10-14(9-8-13(11)3)7-5-4-6-12(2)15/h11H,4-10H2,1-3H3.
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one?
6-(3,4-dimethylpiperazin-1-yl)hexan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)hexan-2-one is sourced from PubChem (CID 63610626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).