2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one

C16H32N2O — CID 142030371

IUPAC2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
SMILESCC(C)(C)CC(C)(C(=O)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-14(2,3)12-16(7,15(4,5)6)13(19)18-10-8-17-9-11-18/h17H,8-12H2,1-7H3
InChIKeyREHBTAGXRXYTBK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.91
Rot. Bonds2

About 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one

2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one (PubChem CID 142030371) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
PubChem CID142030371
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
SMILESCC(C)(C)CC(C)(C(=O)N1CCNCC1)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-14(2,3)12-16(7,15(4,5)6)13(19)18-10-8-17-9-11-18/h17H,8-12H2,1-7H3
InChIKeyREHBTAGXRXYTBK-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
2,4-dimethyl-2-(3-methylpentan-3-yl)-1-piperazin-1-ylhexan-1-one
CID 142030363
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
CID 69422963
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
CID 82511597
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one (CID 142030371) is 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one is CC(C)(C)CC(C)(C(=O)N1CCNCC1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one?
The InChIKey is REHBTAGXRXYTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2,3)12-16(7,15(4,5)6)13(19)18-10-8-17-9-11-18/h17H,8-12H2,1-7H3.
What are the key properties of 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one?
2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one has a molecular weight of 268.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 142030371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).