3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one

C57H120N10O4 — CID 159255361

IUPAC3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCOCC1.CC(C)(C)N1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C)C(C(C)(C)C)C1=O
InChIInChI=1S/C11H24N2.C10H20N2O.C10H22N2.C9H20N2.C9H17NO2.C8H17NO/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2,3)8-9(13)12(5)7-6-11(8)4;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8(2,3)9-4-6-10-7-5-9/h10H,6-9H2,1-5H3;8H,6-7H2,1-5H3;5-9H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyKVVBLNIDVSEHQG-UHFFFAOYSA-N
MW1009.65 g/mol
LogP7.08
Rot. Bonds2

About 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one

3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one (PubChem CID 159255361) has the molecular formula C57H120N10O4 and a molecular weight of 1009.65 g/mol. Its IUPAC name is 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one
PubChem CID159255361
Molecular FormulaC57H120N10O4
Molecular Weight1009.65 g/mol
Exact Mass1008.95
IUPAC Name3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCOCC1.CC(C)(C)N1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C)C(C(C)(C)C)C1=O
InChIInChI=1S/C11H24N2.C10H20N2O.C10H22N2.C9H20N2.C9H17NO2.C8H17NO/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2,3)8-9(13)12(5)7-6-11(8)4;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8(2,3)9-4-6-10-7-5-9/h10H,6-9H2,1-5H3;8H,6-7H2,1-5H3;5-9H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyKVVBLNIDVSEHQG-UHFFFAOYSA-N
XLogP7.08
TPSA85.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.65
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;2-methylpropane;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;4-propylmorpholine
CID 160960936
2,2-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;bis(2,2-dimethyl-1-propan-2-ylpiperidine);methane;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;1,2,2-trimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 157247075
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;bis(2,2-dimethyl-1-propan-2-ylpiperidine);methane;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 157462722
2-[(3R)-4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-N,N-dimethylacetamide;3,3-dimethyl-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]butan-1-one
CID 158557014
2,2-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;1,2,2-trimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 159558479
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;bis(2,2-dimethyl-1-propan-2-ylpiperidine);(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 159789976
1-Tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane
CID 159810642
1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 160887531
3-Tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;methane
CID 161092486
1-(4-Tert-butylpiperazin-1-yl)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)-2-morpholin-4-ylethanone;1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 161567671

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one (CID 159255361) is 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one is CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)N1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C)C(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is KVVBLNIDVSEHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C10H20N2O.C10H22N2.C9H20N2.C9H17NO2.C8H17NO/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2,3)8-9(13)12(5)7-6-11(8)4;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8(2,3)9-4-6-10-7-5-9/h10H,6-9H2,1-5H3;8H,6-7H2,1-5H3;5-9H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one?
3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 1009.65 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 159255361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).