[5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate

C109H160Br4I2N18O15 — CID 158821199

About [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate

[5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate (PubChem CID 158821199) has the molecular formula C109H160Br4I2N18O15 and a molecular weight of 2536.01 g/mol. Its IUPAC name is [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate.

Molecular Properties

• Compound Name: [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate
• PubChem CID: 158821199
• Molecular Formula: C109H160Br4I2N18O15
• Molecular Weight: 2536.01 g/mol
• Exact Mass: 2530.71
• IUPAC Name: [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate
• SMILES: COC(=O)c1cc(Br)cnc1N1CCC(NC2CC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)C(CO)C1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCCC2)C(CO)C1.OCc1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1
• InChI: InChI=1S/C20H30BrN3O3.C20H30IN3O3.C19H28IN3O3.C18H26BrN3O3.C17H26BrN3O.C15H20BrN3O2/c2*1-27-20(26)17-10-15(21)11-22-19(17)24-9-8-18(14(12-24)13-25)23-16-6-4-2-3-5-7-16;1-26-19(25)16-9-14(20)10-21-18(16)23-8-7-17(13(11-23)12-24)22-15-5-3-2-4-6-15;1-25-18(24)15-8-13(19)9-20-17(15)22-7-6-16(12(10-22)11-23)21-14-4-2-3-5-14;18-14-10-13(12-22)17(19-11-14)21-8-6-16(7-9-21)20-15-4-2-1-3-5-15;1-21-15(20)13-8-10(16)9-17-14(13)19-6-4-12(5-7-19)18-11-2-3-11/h2*10-11,14,16,18,23,25H,2-9,12-13H2,1H3;9-10,13,15,17,22,24H,2-8,11-12H2,1H3;8-9,12,14,16,21,23H,2-7,10-11H2,1H3;10-11,15-16,20,22H,1-9,12H2;8-9,11-12,18H,2-7H2,1H3
• InChIKey: IVWXMHUYMBDUOE-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 401.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.01
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate?

The IUPAC name of [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate (CID 158821199) is [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate.

What is the SMILES notation for [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate?

The canonical SMILES for [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1N1CCC(NC2CC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)C(CO)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)C(CO)C1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCC2)C(CO)C1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCCC2)C(CO)C1.OCc1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.

What is the InChIKey of [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate?

The InChIKey is IVWXMHUYMBDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN3O3.C20H30IN3O3.C19H28IN3O3.C18H26BrN3O3.C17H26BrN3O.C15H20BrN3O2/c2*1-27-20(26)17-10-15(21)11-22-19(17)24-9-8-18(14(12-24)13-25)23-16-6-4-2-3-5-7-16;1-26-19(25)16-9-14(20)10-21-18(16)23-8-7-17(13(11-23)12-24)22-15-5-3-2-4-6-15;1-25-18(24)15-8-13(19)9-20-17(15)22-7-6-16(12(10-22)11-23)21-14-4-2-3-5-14;18-14-10-13(12-22)17(19-11-14)21-8-6-16(7-9-21)20-15-4-2-1-3-5-15;1-21-15(20)13-8-10(16)9-17-14(13)19-6-4-12(5-7-19)18-11-2-3-11/h2*10-11,14,16,18,23,25H,2-9,12-13H2,1H3;9-10,13,15,17,22,24H,2-8,11-12H2,1H3;8-9,12,14,16,21,23H,2-7,10-11H2,1H3;10-11,15-16,20,22H,1-9,12H2;8-9,11-12,18H,2-7H2,1H3.

What are the key properties of [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate?

[5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate has a molecular weight of 2536.01 g/mol, XLogP of 16.61, 28 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-3-pyridinyl]methanol;methyl 5-bromo-2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopropylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cycloheptylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-5-iodopyridine-3-carboxylate is sourced from PubChem (CID 158821199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).