1-(1,4-dimethylpiperazin-2-yl)undecan-1-one

C17H34N2O — CID 79659640

IUPAC1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C17H34N2O/c1-4-5-6-7-8-9-10-11-12-17(20)16-15-18(2)13-14-19(16)3/h16H,4-15H2,1-3H3
InChIKeyOUVQGPCDAUQDEX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.33
Rot. Bonds10

About 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one

1-(1,4-dimethylpiperazin-2-yl)undecan-1-one (PubChem CID 79659640) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
PubChem CID79659640
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
SMILESCCCCCCCCCCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C17H34N2O/c1-4-5-6-7-8-9-10-11-12-17(20)16-15-18(2)13-14-19(16)3/h16H,4-15H2,1-3H3
InChIKeyOUVQGPCDAUQDEX-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.33
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

1-(1,4-dimethylpiperazin-2-yl)-3-methylsulfonylpropan-1-one
CID 79658884
1-(4-methylmorpholin-2-yl)tridecan-1-one
CID 79077559
1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
CID 79659303
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
CID 79658821
1-[(2S)-1-methylpyrrolidin-2-yl]butan-1-one
CID 89049382
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
7-heptanoyl-2-methyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 22161686
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658810
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
N-(4-methylpiperazin-1-yl)dodecanamide
CID 3590549
butane-1,1-diol;bis(hexadecanoic acid)
CID 121387984

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one (CID 79659640) is 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one is CCCCCCCCCCC(=O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one?
The InChIKey is OUVQGPCDAUQDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-6-7-8-9-10-11-12-17(20)16-15-18(2)13-14-19(16)3/h16H,4-15H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one?
1-(1,4-dimethylpiperazin-2-yl)undecan-1-one has a molecular weight of 282.47 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)undecan-1-one is sourced from PubChem (CID 79659640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).