tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine

C97H144Cl4F8IN23O6 — CID 158638367

About tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine

tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine (PubChem CID 158638367) has the molecular formula C97H144Cl4F8IN23O6 and a molecular weight of 2149.07 g/mol. Its IUPAC name is tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine.

Molecular Properties

• Compound Name: tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine
• PubChem CID: 158638367
• Molecular Formula: C97H144Cl4F8IN23O6
• Molecular Weight: 2149.07 g/mol
• Exact Mass: 2145.93
• IUPAC Name: tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine
• SMILES: C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1cccc(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cc(I)c(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cc(N)c(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cc(NC(=O)OC(C)(C)C)c(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1ccc(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cccc(F)n1.Fc1cccc(F)n1
• InChI: InChI=1S/C17H26ClFN4O2.C16H24FN3O2.C12H16ClFIN3.C12H18ClFN4.C12H17ClFN3.C12H18FN3.C11H22N2O2.C5H3F2N/c1-10-8-22(6)9-11(2)23(10)13-7-12(14(18)15(19)21-13)20-16(24)25-17(3,4)5;1-11-9-19(15(21)22-16(3,4)5)10-12(2)20(11)14-8-6-7-13(17)18-14;2*1-7-5-17(3)6-8(2)18(7)10-4-9(15)11(13)12(14)16-10;1-8-6-16(3)7-9(2)17(8)11-5-4-10(13)12(14)15-11;1-9-7-15(3)8-10(2)16(9)12-6-4-5-11(13)14-12;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;6-4-2-1-3-5(7)8-4/h7,10-11H,8-9H2,1-6H3,(H,20,21,24);6-8,11-12H,9-10H2,1-5H3;4,7-8H,5-6H2,1-3H3;4,7-8H,5-6H2,1-3H3,(H2,15,16);4-5,8-9H,6-7H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;8-9,12H,6-7H2,1-5H3;1-3H/t10-,11+;11-,12+;2*7-,8+;8-,9+;9-,10+;8-,9+
• InChIKey: IABBUFALVANNFY-OKOQOSQNSA-N
• XLogP: 18.91
• TPSA: 261.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 7
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.07
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?

The IUPAC name of tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine (CID 158638367) is tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine.

What is the SMILES notation for tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?

The canonical SMILES for tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine is C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1cccc(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cc(I)c(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cc(N)c(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cc(NC(=O)OC(C)(C)C)c(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1ccc(Cl)c(F)n1.C[C@@H]1CN(C)C[C@H](C)N1c1cccc(F)n1.Fc1cccc(F)n1.

What is the InChIKey of tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?

The InChIKey is IABBUFALVANNFY-OKOQOSQNSA-N. The full InChI is InChI=1S/C17H26ClFN4O2.C16H24FN3O2.C12H16ClFIN3.C12H18ClFN4.C12H17ClFN3.C12H18FN3.C11H22N2O2.C5H3F2N/c1-10-8-22(6)9-11(2)23(10)13-7-12(14(18)15(19)21-13)20-16(24)25-17(3,4)5;1-11-9-19(15(21)22-16(3,4)5)10-12(2)20(11)14-8-6-7-13(17)18-14;2*1-7-5-17(3)6-8(2)18(7)10-4-9(15)11(13)12(14)16-10;1-8-6-16(3)7-9(2)17(8)11-5-4-10(13)12(14)15-11;1-9-7-15(3)8-10(2)16(9)12-6-4-5-11(13)14-12;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;6-4-2-1-3-5(7)8-4/h7,10-11H,8-9H2,1-6H3,(H,20,21,24);6-8,11-12H,9-10H2,1-5H3;4,7-8H,5-6H2,1-3H3;4,7-8H,5-6H2,1-3H3,(H2,15,16);4-5,8-9H,6-7H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;8-9,12H,6-7H2,1-5H3;1-3H/t10-,11+;11-,12+;2*7-,8+;8-,9+;9-,10+;8-,9+;.

What are the key properties of tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine?

tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine has a molecular weight of 2149.07 g/mol, XLogP of 18.91, 7 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-chloro-2-fluoro-6-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]-4-pyridinyl]carbamate;tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3R,5S)-4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate;(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine;(2S,6R)-1-(5-chloro-6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine;3-chloro-2-fluoro-6-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]pyridin-4-amine;2,6-difluoropyridine;(2S,6R)-1-(6-fluoro-2-pyridinyl)-2,4,6-trimethylpiperazine is sourced from PubChem (CID 158638367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).