1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane

C79H121N7O2 — CID 158461603

About 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane

1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane (PubChem CID 158461603) has the molecular formula C79H121N7O2 and a molecular weight of 1200.88 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane
• PubChem CID: 158461603
• Molecular Formula: C79H121N7O2
• Molecular Weight: 1200.88 g/mol
• Exact Mass: 1199.96
• IUPAC Name: 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane
• SMILES: C.C.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.CC(c1ccc(C(C)(C)C)cc1)N1CCCCC1
• InChI: InChI=1S/C17H27N.C16H24N2O.C16H23NO.C16H24.C12H15N3.2CH4/c1-14(18-12-6-5-7-13-18)15-8-10-16(11-9-15)17(2,3)4;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-16(2,3)14-9-7-13(8-10-14)15(18)17-11-5-4-6-12-17;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-12(2,3)10-6-4-9(5-7-10)11-13-8-14-15-11;;/h8-11,14H,5-7,12-13H2,1-4H3;5-8H,9-12H2,1-4H3;7-10H,4-6,11-12H2,1-3H3;9-13H,4-8H2,1-3H3;4-8H,1-3H3,(H,13,14,15);2*1H4
• InChIKey: HFFZDJRNQWNTPW-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 88.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1200.88
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane?

The IUPAC name of 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane (CID 158461603) is 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane.

What is the SMILES notation for 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane?

The canonical SMILES for 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane is C.C.CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(-c2ncn[nH]2)cc1.CC(C)(C)c1ccc(C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.CC(c1ccc(C(C)(C)C)cc1)N1CCCCC1.

What is the InChIKey of 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane?

The InChIKey is HFFZDJRNQWNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C16H24N2O.C16H23NO.C16H24.C12H15N3.2CH4/c1-14(18-12-6-5-7-13-18)15-8-10-16(11-9-15)17(2,3)4;1-13(19)17-9-11-18(12-10-17)15-7-5-14(6-8-15)16(2,3)4;1-16(2,3)14-9-7-13(8-10-14)15(18)17-11-5-4-6-12-17;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-12(2,3)10-6-4-9(5-7-10)11-13-8-14-15-11;;/h8-11,14H,5-7,12-13H2,1-4H3;5-8H,9-12H2,1-4H3;7-10H,4-6,11-12H2,1-3H3;9-13H,4-8H2,1-3H3;4-8H,1-3H3,(H,13,14,15);2*1H4.

What are the key properties of 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane?

1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane has a molecular weight of 1200.88 g/mol, XLogP of 19.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-cyclohexylbenzene;1-[1-(4-tert-butylphenyl)ethyl]piperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;(4-tert-butylphenyl)-piperidin-1-ylmethanone;5-(4-tert-butylphenyl)-1H-1,2,4-triazole;methane is sourced from PubChem (CID 158461603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).