4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

C17H32N2O2 — CID 79913930

IUPAC4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCN(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-15(2,3)19-10-8-18(9-11-19)12-13-14(20)17(6,7)21-16(13,4)5/h13H,8-12H2,1-7H3
InChIKeyNSMLXTJSEZBWLB-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.18
Rot. Bonds2

About 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79913930) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79913930
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN2CCN(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-15(2,3)19-10-8-18(9-11-19)12-13-14(20)17(6,7)21-16(13,4)5/h13H,8-12H2,1-7H3
InChIKeyNSMLXTJSEZBWLB-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
CID 79934376
4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934553
4-[(2-ethylmorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934464
4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 102966841
4-[[3-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929370
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933867
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one
CID 79934271
2,2,5,5-tetramethyl-4-[(3-methylthiomorpholin-4-yl)methyl]oxolan-3-one
CID 79934477
2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one
CID 62613226
2,2,5,5-tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
CID 79912814
4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 102789412
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933991

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79913930) is 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN2CCN(C(C)(C)C)CC2)C1=O.
What is the InChIKey of 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is NSMLXTJSEZBWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-15(2,3)19-10-8-18(9-11-19)12-13-14(20)17(6,7)21-16(13,4)5/h13H,8-12H2,1-7H3.
What are the key properties of 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 296.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperazin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79913930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).