cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol

C155H235N17O7 — CID 160704629

About cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol

cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol (PubChem CID 160704629) has the molecular formula C155H235N17O7 and a molecular weight of 2448.70 g/mol. Its IUPAC name is cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol.

Molecular Properties

• Compound Name: cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol
• PubChem CID: 160704629
• Molecular Formula: C155H235N17O7
• Molecular Weight: 2448.70 g/mol
• Exact Mass: 2446.86
• IUPAC Name: cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol
• SMILES: CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cncc(CN2CCCCC2)c1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1
• InChI: InChI=1S/4C14H22N2.2C14H21NO.C12H18N2O.2C12H19NO2.C10H15N.C9H12.2C8H11N/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;2*1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h6-8,12H,3-5,9-11H2,1-2H3;2*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;2*3-6,12H,7-11H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;5-7H,1-4H3;3-8H,1-2H3;2*3-7H,1-2H3
• InChIKey: RRBHIAKZFAQQRU-UHFFFAOYSA-N
• XLogP: 34.84
• TPSA: 238.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.70
LogP ≤ 5	34.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?

The IUPAC name of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol (CID 160704629) is cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol.

What is the SMILES notation for cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?

The canonical SMILES for cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol is CC(C)c1cc(CN2CCCCC2)ccn1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1ccc(CN2CCOCC2)cc1.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(CN2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cncc(CN2CCCCC2)c1.CCC(O)COc1cc(C(C)C)ccn1.CCC(O)COc1cccc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.

What is the InChIKey of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?

The InChIKey is RRBHIAKZFAQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H22N2.2C14H21NO.C12H18N2O.2C12H19NO2.C10H15N.C9H12.2C8H11N/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-12(2)13-6-7-15-14(10-13)11-16-8-4-3-5-9-16;1-12(2)14-10-13(6-7-15-14)11-16-8-4-3-5-9-16;1-12(2)14-8-13(9-15-10-14)11-16-6-4-3-5-7-16;2*1-12(2)14-5-3-13(4-6-14)11-15-7-9-16-10-8-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-4-11(14)8-15-12-7-10(9(2)3)5-6-13-12;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8/h6-8,12H,3-5,9-11H2,1-2H3;2*6-7,10,12H,3-5,8-9,11H2,1-2H3;8-10,12H,3-7,11H2,1-2H3;2*3-6,12H,7-11H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-7,9,11,14H,4,8H2,1-3H3;5-7,9-10,14H,4,8H2,1-3H3;5-7H,1-4H3;3-8H,1-2H3;2*3-7H,1-2H3.

What are the key properties of cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol?

cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol has a molecular weight of 2448.70 g/mol, XLogP of 34.84, 34 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;2,4-dimethyl-6-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;3-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine;bis(4-[(4-propan-2-ylphenyl)methyl]morpholine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;1-[(4-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol is sourced from PubChem (CID 160704629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).