2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one

C18H36N2O — CID 142030363

IUPAC2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one
SMILESCCC(C)CC(C)(C(=O)N1CCNCC1)C(C)(CC)CC
InChIInChI=1S/C18H36N2O/c1-7-15(4)14-18(6,17(5,8-2)9-3)16(21)20-12-10-19-11-13-20/h15,19H,7-14H2,1-6H3
InChIKeyWFKJNXWEJNJDMX-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.69
Rot. Bonds7

About 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one

2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one (PubChem CID 142030363) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one.

Molecular Properties

Compound Name2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one
PubChem CID142030363
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one
SMILESCCC(C)CC(C)(C(=O)N1CCNCC1)C(C)(CC)CC
InChIInChI=1S/C18H36N2O/c1-7-15(4)14-18(6,17(5,8-2)9-3)16(21)20-12-10-19-11-13-20/h15,19H,7-14H2,1-6H3
InChIKeyWFKJNXWEJNJDMX-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one with MolForge

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Related Compounds

2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
CID 142030371
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
1-(1,4-diazepan-1-yl)-2,2,4-trimethylpentan-1-one;hydrochloride
CID 119415827
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80547764
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
CID 43128287
(3R)-1-(1,4-diazepan-1-yl)-3,5,5-trimethylhexan-1-one
CID 93256894
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one?
The IUPAC name of 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one (CID 142030363) is 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one.
What is the SMILES notation for 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one?
The canonical SMILES for 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one is CCC(C)CC(C)(C(=O)N1CCNCC1)C(C)(CC)CC.
What is the InChIKey of 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one?
The InChIKey is WFKJNXWEJNJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-7-15(4)14-18(6,17(5,8-2)9-3)16(21)20-12-10-19-11-13-20/h15,19H,7-14H2,1-6H3.
What are the key properties of 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one?
2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one has a molecular weight of 296.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one is sourced from PubChem (CID 142030363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).