1-tert-butylpiperazin-2-one;molecular hydrogen

C8H18N2O — CID 142393051

IUPAC1-tert-butylpiperazin-2-one;molecular hydrogen
SMILESCC(C)(C)N1CCNCC1=O.[H][H]
InChIInChI=1S/C8H16N2O.H2/c1-8(2,3)10-5-4-9-6-7(10)11;/h9H,4-6H2,1-3H3;1H
InChIKeyPETSPBADLGEXCE-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.46
Rot. Bonds

About 1-tert-butylpiperazin-2-one;molecular hydrogen

1-tert-butylpiperazin-2-one;molecular hydrogen (PubChem CID 142393051) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-tert-butylpiperazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-tert-butylpiperazin-2-one;molecular hydrogen
PubChem CID142393051
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-tert-butylpiperazin-2-one;molecular hydrogen
SMILESCC(C)(C)N1CCNCC1=O.[H][H]
InChIInChI=1S/C8H16N2O.H2/c1-8(2,3)10-5-4-9-6-7(10)11;/h9H,4-6H2,1-3H3;1H
InChIKeyPETSPBADLGEXCE-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Piperazinone, 3,3-dimethyl-
CID 211157
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
N-isopropyl-1-piperazineacetamide
CID 100826
1-Methyl-3-oxopiperazine
CID 13704283
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
2,3-Piperazinedione, 1-butyl-
CID 200627
2,3-Piperazinedione, 1-propyl-
CID 3042434
1-Methylpiperazin-2-one
CID 4399042
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide
CID 373589
2-(Methylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 2574890

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazin-2-one;molecular hydrogen?
The IUPAC name of 1-tert-butylpiperazin-2-one;molecular hydrogen (CID 142393051) is 1-tert-butylpiperazin-2-one;molecular hydrogen.
What is the SMILES notation for 1-tert-butylpiperazin-2-one;molecular hydrogen?
The canonical SMILES for 1-tert-butylpiperazin-2-one;molecular hydrogen is CC(C)(C)N1CCNCC1=O.[H][H].
What is the InChIKey of 1-tert-butylpiperazin-2-one;molecular hydrogen?
The InChIKey is PETSPBADLGEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.H2/c1-8(2,3)10-5-4-9-6-7(10)11;/h9H,4-6H2,1-3H3;1H.
What are the key properties of 1-tert-butylpiperazin-2-one;molecular hydrogen?
1-tert-butylpiperazin-2-one;molecular hydrogen has a molecular weight of 158.25 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazin-2-one;molecular hydrogen is sourced from PubChem (CID 142393051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).