tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine

C100H148Br3N15O6 — CID 159694905

About tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine

tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine (PubChem CID 159694905) has the molecular formula C100H148Br3N15O6 and a molecular weight of 1896.09 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine
• PubChem CID: 159694905
• Molecular Formula: C100H148Br3N15O6
• Molecular Weight: 1896.09 g/mol
• Exact Mass: 1891.93
• IUPAC Name: tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine
• SMILES: Brc1cccc(Br)n1.CC(C)(C)OC(=O)NC1CCN(C2CCCCC2)C1.CC(C)(C)OC(=O)NC1CCN(C2CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)C1.CC(C)(C)OC(=O)NC1CCN(C2CCN(c3cccc(Br)n3)CC2)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N5CCC(N)C5)CC4)n3)ccc21
• InChI: InChI=1S/C33H48N4O2.C28H40N4.C19H29BrN4O2.C15H28N2O2.C5H3Br2N/c1-31(2,3)39-30(38)34-24-13-18-37(22-24)25-14-19-36(20-15-25)29-10-8-9-28(35-29)23-11-12-26-27(21-23)33(6,7)17-16-32(26,4)5;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-22(12-17-31)32-15-10-21(29)19-32;1-19(2,3)26-18(25)21-14-7-10-24(13-14)15-8-11-23(12-9-15)17-6-4-5-16(20)22-17;1-15(2,3)19-14(18)16-12-9-10-17(11-12)13-7-5-4-6-8-13;6-4-2-1-3-5(7)8-4/h8-12,21,24-25H,13-20,22H2,1-7H3,(H,34,38);5-9,18,21-22H,10-17,19,29H2,1-4H3;4-6,14-15H,7-13H2,1-3H3,(H,21,25);12-13H,4-11H2,1-3H3,(H,16,18);1-3H
• InChIKey: MWWNZWPYKAMJBB-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 215.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1896.09
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine?

The IUPAC name of tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine (CID 159694905) is tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine.

What is the SMILES notation for tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine?

The canonical SMILES for tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine is Brc1cccc(Br)n1.CC(C)(C)OC(=O)NC1CCN(C2CCCCC2)C1.CC(C)(C)OC(=O)NC1CCN(C2CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)C1.CC(C)(C)OC(=O)NC1CCN(C2CCN(c3cccc(Br)n3)CC2)C1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N5CCC(N)C5)CC4)n3)ccc21.

What is the InChIKey of tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine?

The InChIKey is MWWNZWPYKAMJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N4O2.C28H40N4.C19H29BrN4O2.C15H28N2O2.C5H3Br2N/c1-31(2,3)39-30(38)34-24-13-18-37(22-24)25-14-19-36(20-15-25)29-10-8-9-28(35-29)23-11-12-26-27(21-23)33(6,7)17-16-32(26,4)5;1-27(2)13-14-28(3,4)24-18-20(8-9-23(24)27)25-6-5-7-26(30-25)31-16-11-22(12-17-31)32-15-10-21(29)19-32;1-19(2,3)26-18(25)21-14-7-10-24(13-14)15-8-11-23(12-9-15)17-6-4-5-16(20)22-17;1-15(2,3)19-14(18)16-12-9-10-17(11-12)13-7-5-4-6-8-13;6-4-2-1-3-5(7)8-4/h8-12,21,24-25H,13-20,22H2,1-7H3,(H,34,38);5-9,18,21-22H,10-17,19,29H2,1-4H3;4-6,14-15H,7-13H2,1-3H3,(H,21,25);12-13H,4-11H2,1-3H3,(H,16,18);1-3H.

What are the key properties of tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine?

tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine has a molecular weight of 1896.09 g/mol, XLogP of 20.70, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate;tert-butyl N-[1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]carbamate;2,6-dibromopyridine;1-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 159694905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).