2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one

C105H204N10O14S — CID 163480557

IUPAC2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(=O)N1CCOCC1C(C)(C)C.CC(C)(C)C1CCCN(C=O)C1.CC(C)(C)C1CCN(C=O)CC1.CC(C)(C)C1CCN(S(C)(=O)=O)CC1.CC(C)(C)C1COCCN1C=O.CC(C)C(=O)N1CCCC(C(C)(C)C)C1.CC(C)C(=O)N1CCOCC1C(C)(C)C.CN1CCOC(C(C)(C)C)C1
InChIInChI=1S/C13H25NO.C12H23NO2.2C11H21NO.C10H21NO2S.C10H19NO2.2C10H19NO.C9H17NO2.C9H19NO/c1-10(2)12(15)14-8-6-7-11(9-14)13(3,4)5;1-9(2)11(14)13-6-7-15-8-10(13)12(3,4)5;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-10(2,3)9-5-7-11(8-6-9)14(4,12)13;1-8(12)11-5-6-13-7-9(11)10(2,3)4;1-10(2,3)9-4-6-11(8-12)7-5-9;1-10(2,3)9-5-4-6-11(7-9)8-12;1-9(2,3)8-6-12-5-4-10(8)7-11;1-9(2,3)8-7-10(4)5-6-11-8/h10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;9H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3
InChIKeyCEDSQIZMBJYAEY-UHFFFAOYSA-N
MW1862.91 g/mol
LogP18.46
Rot. Bonds6

About 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one

2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 163480557) has the molecular formula C105H204N10O14S and a molecular weight of 1862.91 g/mol. Its IUPAC name is 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID163480557
Molecular FormulaC105H204N10O14S
Molecular Weight1862.91 g/mol
Exact Mass1861.53
IUPAC Name2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(=O)N1CCOCC1C(C)(C)C.CC(C)(C)C1CCCN(C=O)C1.CC(C)(C)C1CCN(C=O)CC1.CC(C)(C)C1CCN(S(C)(=O)=O)CC1.CC(C)(C)C1COCCN1C=O.CC(C)C(=O)N1CCCC(C(C)(C)C)C1.CC(C)C(=O)N1CCOCC1C(C)(C)C.CN1CCOC(C(C)(C)C)C1
InChIInChI=1S/C13H25NO.C12H23NO2.2C11H21NO.C10H21NO2S.C10H19NO2.2C10H19NO.C9H17NO2.C9H19NO/c1-10(2)12(15)14-8-6-7-11(9-14)13(3,4)5;1-9(2)11(14)13-6-7-15-8-10(13)12(3,4)5;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-10(2,3)9-5-7-11(8-6-9)14(4,12)13;1-8(12)11-5-6-13-7-9(11)10(2,3)4;1-10(2,3)9-4-6-11(8-12)7-5-9;1-10(2,3)9-5-4-6-11(7-9)8-12;1-9(2,3)8-6-12-5-4-10(8)7-11;1-9(2,3)8-7-10(4)5-6-11-8/h10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;9H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3
InChIKeyCEDSQIZMBJYAEY-UHFFFAOYSA-N
XLogP18.46
TPSA240.02 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.91
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
CID 144675033
bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
1-(3-tert-butylpiperidin-1-yl)-2-(hydroxymethyl)-5-methylhexane-1,4-dione
CID 160820808
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
2-methyl-2-(1-methylpiperidin-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 138009246
2,4-ditert-butyl-1-methylpiperazine;2,4-ditert-butylmorpholine;1,3-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
CID 157482074
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-4-methylmorpholine;bis(2-tert-butyloxane);3-tert-butyloxetane;2-tert-butyloxolane
CID 167633592
4-(2-methylbutan-2-yl)-1-methylsulfonylpiperidine;4-(2-methylbutan-2-yl)oxane;4-(2-methylbutan-2-yl)piperidine;tris(1-[4-(2-methylbutan-2-yl)piperidin-1-yl]ethanone);4-(2-methylbutan-2-yl)thiane;4-(2-methylbutan-2-yl)thiane 1,1-dioxide
CID 165000180
1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone
CID 157158322
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one (CID 163480557) is 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one is CC(=O)N1CCC(C(C)(C)C)CC1.CC(=O)N1CCCC(C(C)(C)C)C1.CC(=O)N1CCOCC1C(C)(C)C.CC(C)(C)C1CCCN(C=O)C1.CC(C)(C)C1CCN(C=O)CC1.CC(C)(C)C1CCN(S(C)(=O)=O)CC1.CC(C)(C)C1COCCN1C=O.CC(C)C(=O)N1CCCC(C(C)(C)C)C1.CC(C)C(=O)N1CCOCC1C(C)(C)C.CN1CCOC(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is CEDSQIZMBJYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C12H23NO2.2C11H21NO.C10H21NO2S.C10H19NO2.2C10H19NO.C9H17NO2.C9H19NO/c1-10(2)12(15)14-8-6-7-11(9-14)13(3,4)5;1-9(2)11(14)13-6-7-15-8-10(13)12(3,4)5;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-9(13)12-7-5-6-10(8-12)11(2,3)4;1-10(2,3)9-5-7-11(8-6-9)14(4,12)13;1-8(12)11-5-6-13-7-9(11)10(2,3)4;1-10(2,3)9-4-6-11(8-12)7-5-9;1-10(2,3)9-5-4-6-11(7-9)8-12;1-9(2,3)8-6-12-5-4-10(8)7-11;1-9(2,3)8-7-10(4)5-6-11-8/h10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;2*10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;9H,5-7H2,1-4H3;2*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one?
2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 1862.91 g/mol, XLogP of 18.46, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methylmorpholine;4-tert-butyl-1-methylsulfonylpiperidine;3-tert-butylmorpholine-4-carbaldehyde;1-(3-tert-butylmorpholin-4-yl)ethanone;1-(3-tert-butylmorpholin-4-yl)-2-methylpropan-1-one;3-tert-butylpiperidine-1-carbaldehyde;4-tert-butylpiperidine-1-carbaldehyde;1-(3-tert-butylpiperidin-1-yl)ethanone;1-(4-tert-butylpiperidin-1-yl)ethanone;1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 163480557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).