1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one

C14H28N2O — CID 82243729

IUPAC1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C14H28N2O/c1-6-7-13(17)16-10-14(4,5)15-9-12(16)8-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyZLKKGKSLTSMUNH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds4

About 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one

1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one (PubChem CID 82243729) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one
PubChem CID82243729
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(C)(C)NCC1CC(C)C
InChIInChI=1S/C14H28N2O/c1-6-7-13(17)16-10-14(4,5)15-9-12(16)8-11(2)3/h11-12,15H,6-10H2,1-5H3
InChIKeyZLKKGKSLTSMUNH-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one (CID 82243729) is 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CC(C)(C)NCC1CC(C)C.
What is the InChIKey of 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one?
The InChIKey is ZLKKGKSLTSMUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-7-13(17)16-10-14(4,5)15-9-12(16)8-11(2)3/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one?
1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 82243729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).