(2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate

C112H235N11O24 — CID 167553062

About (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate

(2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate (PubChem CID 167553062) has the molecular formula C112H235N11O24 and a molecular weight of 2120.16 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate.

Molecular Properties

• Compound Name: (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate
• PubChem CID: 167553062
• Molecular Formula: C112H235N11O24
• Molecular Weight: 2120.16 g/mol
• Exact Mass: 2118.75
• IUPAC Name: (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate
• SMILES: C.CC(C)OC(=O)CCCN1CCOCC1.CC(C)OC(=O)CCCn1cncn1.CC(C)OCC(O)CO.CC(C)OCCCN1CCC(C(C)(C)O)CC1.CC(C)OCCN1CC(C)OC(C)C1.CC(C)OCCN1CCC(C(C)(C)O)CC1.CC(C)OCCN1CCN(C(C)C)CC1.CC(C)OCCN1C[C@@H](C)O[C@@H](C)C1.CC(C)OC[C@@H](O)CO.CC(C)OC[C@H](O)CO.CC1CCN(CCCOC(C)C)CC1
• InChI: InChI=1S/C14H29NO2.C13H27NO2.C12H26N2O.C12H25NO.C11H21NO3.2C11H23NO2.C9H15N3O2.3C6H14O3.CH4/c1-12(2)17-11-5-8-15-9-6-13(7-10-15)14(3,4)16;1-11(2)16-10-9-14-7-5-12(6-8-14)13(3,4)15;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4;1-11(2)14-10-4-7-13-8-5-12(3)6-9-13;1-10(2)15-11(13)4-3-5-12-6-8-14-9-7-12;2*1-9(2)13-6-5-12-7-10(3)14-11(4)8-12;1-8(2)14-9(13)4-3-5-12-7-10-6-11-12;3*1-5(2)9-4-6(8)3-7;/h12-13,16H,5-11H2,1-4H3;11-12,15H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,3-9H2,1-2H3;2*9-11H,5-8H2,1-4H3;6-8H,3-5H2,1-2H3;3*5-8H,3-4H2,1-2H3;1H4/t;;;;;10-,11+;;;2*6-;;/m........10../s1
• InChIKey: CQUOHRUIUHSVJL-RUERDKMWSA-N
• XLogP: 13.18
• TPSA: 381.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 51
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2120.16
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate?

The IUPAC name of (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate (CID 167553062) is (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate.

What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate?

The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate is C.CC(C)OC(=O)CCCN1CCOCC1.CC(C)OC(=O)CCCn1cncn1.CC(C)OCC(O)CO.CC(C)OCCCN1CCC(C(C)(C)O)CC1.CC(C)OCCN1CC(C)OC(C)C1.CC(C)OCCN1CCC(C(C)(C)O)CC1.CC(C)OCCN1CCN(C(C)C)CC1.CC(C)OCCN1C[C@@H](C)O[C@@H](C)C1.CC(C)OC[C@@H](O)CO.CC(C)OC[C@H](O)CO.CC1CCN(CCCOC(C)C)CC1.

What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate?

The InChIKey is CQUOHRUIUHSVJL-RUERDKMWSA-N. The full InChI is InChI=1S/C14H29NO2.C13H27NO2.C12H26N2O.C12H25NO.C11H21NO3.2C11H23NO2.C9H15N3O2.3C6H14O3.CH4/c1-12(2)17-11-5-8-15-9-6-13(7-10-15)14(3,4)16;1-11(2)16-10-9-14-7-5-12(6-8-14)13(3,4)15;1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4;1-11(2)14-10-4-7-13-8-5-12(3)6-9-13;1-10(2)15-11(13)4-3-5-12-6-8-14-9-7-12;2*1-9(2)13-6-5-12-7-10(3)14-11(4)8-12;1-8(2)14-9(13)4-3-5-12-7-10-6-11-12;3*1-5(2)9-4-6(8)3-7;/h12-13,16H,5-11H2,1-4H3;11-12,15H,5-10H2,1-4H3;11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,3-9H2,1-2H3;2*9-11H,5-8H2,1-4H3;6-8H,3-5H2,1-2H3;3*5-8H,3-4H2,1-2H3;1H4/t;;;;;10-,11+;;;2*6-;;/m........10../s1.

What are the key properties of (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate?

(2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate has a molecular weight of 2120.16 g/mol, XLogP of 13.18, 51 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;methane;4-methyl-1-(3-propan-2-yloxypropyl)piperidine;propan-2-yl 4-morpholin-4-ylbutanoate;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;(2S)-3-propan-2-yloxypropane-1,2-diol;(2R)-3-propan-2-yloxypropane-1,2-diol;3-propan-2-yloxypropane-1,2-diol;2-[1-(3-propan-2-yloxypropyl)piperidin-4-yl]propan-2-ol;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;propan-2-yl 4-(1,2,4-triazol-1-yl)butanoate is sourced from PubChem (CID 167553062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).