1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine

C197H358N27O+ — CID 159018801

About 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine

1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine (PubChem CID 159018801) has the molecular formula C197H358N27O+ and a molecular weight of 3121.22 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine
• PubChem CID: 159018801
• Molecular Formula: C197H358N27O+
• Molecular Weight: 3121.22 g/mol
• Exact Mass: 3118.88
• IUPAC Name: 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine
• SMILES: CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCc1cccc(C(C)(C)C)c1.CC(C)(C)Nc1cc(C(C)(C)C)ccn1.CC(C)(C)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)Nc1ccc(C(C)(C)C)cn1.CC(C)(C)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)c1cccc(N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)c1nc(CN2CCN(C(C)(C)C)CC2)co1.CC(C)(C)c1nc[n+](CN2CCN(C(C)(C)C)CC2)[nH]1.CC(C)N1CCC(C(C)(C)C)CC1
• InChI: InChI=1S/C18H30N2.C17H29N3.C16H29N3O.C15H29N5.C15H25N.2C14H23N.3C13H22N2.C13H27N.C12H26N2.2C12H25N/c1-17(2,3)15-8-7-9-16(14-15)19-10-12-20(13-11-19)18(4,5)6;1-16(2,3)14-7-8-15(18-13-14)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)14-17-13(12-20-14)11-18-7-9-19(10-8-18)16(4,5)6;1-14(2,3)13-16-11-20(17-13)12-18-7-9-19(10-8-18)15(4,5)6;1-14(2,3)13-9-7-8-12(10-13)11-16-15(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)15-14(4,5)6;1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6;1-12(2,3)11-8-7-10(9-14-11)15-13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)15-13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2)13-8-6-11(7-9-13)12(3,4)5/h7-9,14H,10-13H2,1-6H3;7-8,13H,9-12H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10,12H2,1-6H3;7-10,16H,11H2,1-6H3;2*7-10,15H,1-6H3;7-9H,1-6H3,(H,14,15);7-9,15H,1-6H3;7-9H,1-6H3,(H,14,15);11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3/p+1
• InChIKey: PXYSSWKQDFOKOP-UHFFFAOYSA-O
• XLogP: 46.54
• TPSA: 224.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3121.22
LogP ≤ 5	46.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine?

The IUPAC name of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine (CID 159018801) is 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine.

What is the SMILES notation for 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine?

The canonical SMILES for 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCc1cccc(C(C)(C)C)c1.CC(C)(C)Nc1cc(C(C)(C)C)ccn1.CC(C)(C)Nc1ccc(C(C)(C)C)cc1.CC(C)(C)Nc1ccc(C(C)(C)C)cn1.CC(C)(C)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)c1cccc(N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)c1nc(CN2CCN(C(C)(C)C)CC2)co1.CC(C)(C)c1nc[n+](CN2CCN(C(C)(C)C)CC2)[nH]1.CC(C)N1CCC(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine?

The InChIKey is PXYSSWKQDFOKOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N2.C17H29N3.C16H29N3O.C15H29N5.C15H25N.2C14H23N.3C13H22N2.C13H27N.C12H26N2.2C12H25N/c1-17(2,3)15-8-7-9-16(14-15)19-10-12-20(13-11-19)18(4,5)6;1-16(2,3)14-7-8-15(18-13-14)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)14-17-13(12-20-14)11-18-7-9-19(10-8-18)16(4,5)6;1-14(2,3)13-16-11-20(17-13)12-18-7-9-19(10-8-18)15(4,5)6;1-14(2,3)13-9-7-8-12(10-13)11-16-15(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)15-14(4,5)6;1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6;1-12(2,3)11-8-7-10(9-14-11)15-13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)15-13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2)13-8-6-11(7-9-13)12(3,4)5/h7-9,14H,10-13H2,1-6H3;7-8,13H,9-12H2,1-6H3;12H,7-11H2,1-6H3;11H,7-10,12H2,1-6H3;7-10,16H,11H2,1-6H3;2*7-10,15H,1-6H3;7-9H,1-6H3,(H,14,15);7-9,15H,1-6H3;7-9H,1-6H3,(H,14,15);11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;10-11H,6-9H2,1-5H3/p+1.

What are the key properties of 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine?

1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine has a molecular weight of 3121.22 g/mol, XLogP of 46.54, 14 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 159018801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).