4-(5,5-dimethylhexyl)piperazin-2-one

C12H24N2O — CID 21304858

IUPAC4-(5,5-dimethylhexyl)piperazin-2-one
SMILESCC(C)(C)CCCCN1CCNC(=O)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)6-4-5-8-14-9-7-13-11(15)10-14/h4-10H2,1-3H3,(H,13,15)
InChIKeyJZHDREFHKYCPGW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds4

About 4-(5,5-dimethylhexyl)piperazin-2-one

4-(5,5-dimethylhexyl)piperazin-2-one (PubChem CID 21304858) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(5,5-dimethylhexyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5,5-dimethylhexyl)piperazin-2-one
PubChem CID21304858
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(5,5-dimethylhexyl)piperazin-2-one
SMILESCC(C)(C)CCCCN1CCNC(=O)C1
InChIInChI=1S/C12H24N2O/c1-12(2,3)6-4-5-8-14-9-7-13-11(15)10-14/h4-10H2,1-3H3,(H,13,15)
InChIKeyJZHDREFHKYCPGW-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-(5-aminopentyl)-1,4-diazepan-2-one
CID 65361478
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
4-(aminomethyl)piperazin-2-one
CID 170083985
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
CID 126769443
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
CID 130266300
3-[3-(3-oxopiperazin-1-yl)propylamino]pyrazine-2-carboxamide
CID 126829575

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylhexyl)piperazin-2-one?
The IUPAC name of 4-(5,5-dimethylhexyl)piperazin-2-one (CID 21304858) is 4-(5,5-dimethylhexyl)piperazin-2-one.
What is the SMILES notation for 4-(5,5-dimethylhexyl)piperazin-2-one?
The canonical SMILES for 4-(5,5-dimethylhexyl)piperazin-2-one is CC(C)(C)CCCCN1CCNC(=O)C1.
What is the InChIKey of 4-(5,5-dimethylhexyl)piperazin-2-one?
The InChIKey is JZHDREFHKYCPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)6-4-5-8-14-9-7-13-11(15)10-14/h4-10H2,1-3H3,(H,13,15).
What are the key properties of 4-(5,5-dimethylhexyl)piperazin-2-one?
4-(5,5-dimethylhexyl)piperazin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylhexyl)piperazin-2-one is sourced from PubChem (CID 21304858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).