(4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride

C81H115BrCl2F5N19O — CID 159212028

About (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride

(4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride (PubChem CID 159212028) has the molecular formula C81H115BrCl2F5N19O and a molecular weight of 1616.74 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride.

Molecular Properties

• Compound Name: (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride
• PubChem CID: 159212028
• Molecular Formula: C81H115BrCl2F5N19O
• Molecular Weight: 1616.74 g/mol
• Exact Mass: 1613.80
• IUPAC Name: (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride
• SMILES: Cc1cc(C(C)C)cnc1N1CCNCC1.Cc1cc(C2CCC2)cnc1N1CCNCC1.Cc1cc(C2CCCC2)cnc1N1CCNCC1.Cc1cnc(N2CCN(C(=O)c3c(F)cc(Br)cc3F)CC2)c(C)c1.Cc1cnc(N2CCNCC2)c(C(F)(F)F)c1.Cc1cnc(N2CCNCC2)c(C)n1.Cl.Cl
• InChI: InChI=1S/C18H18BrF2N3O.C15H23N3.C14H21N3.C13H21N3.C11H14F3N3.C10H16N4.2ClH/c1-11-7-12(2)17(22-10-11)23-3-5-24(6-4-23)18(25)16-14(20)8-13(19)9-15(16)21;1-12-10-14(13-4-2-3-5-13)11-17-15(12)18-8-6-16-7-9-18;1-11-9-13(12-3-2-4-12)10-16-14(11)17-7-5-15-6-8-17;1-10(2)12-8-11(3)13(15-9-12)16-6-4-14-5-7-16;1-8-6-9(11(12,13)14)10(16-7-8)17-4-2-15-3-5-17;1-8-7-12-10(9(2)13-8)14-5-3-11-4-6-14;;/h7-10H,3-6H2,1-2H3;10-11,13,16H,2-9H2,1H3;9-10,12,15H,2-8H2,1H3;8-10,14H,4-7H2,1-3H3;6-7,15H,2-5H2,1H3;7,11H,3-6H2,1-2H3;2*1H
• InChIKey: ZOOKODHCQNHKCW-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 190.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.74
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride?

The IUPAC name of (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride (CID 159212028) is (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride.

What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride?

The canonical SMILES for (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride is Cc1cc(C(C)C)cnc1N1CCNCC1.Cc1cc(C2CCC2)cnc1N1CCNCC1.Cc1cc(C2CCCC2)cnc1N1CCNCC1.Cc1cnc(N2CCN(C(=O)c3c(F)cc(Br)cc3F)CC2)c(C)c1.Cc1cnc(N2CCNCC2)c(C(F)(F)F)c1.Cc1cnc(N2CCNCC2)c(C)n1.Cl.Cl.

What is the InChIKey of (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride?

The InChIKey is ZOOKODHCQNHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF2N3O.C15H23N3.C14H21N3.C13H21N3.C11H14F3N3.C10H16N4.2ClH/c1-11-7-12(2)17(22-10-11)23-3-5-24(6-4-23)18(25)16-14(20)8-13(19)9-15(16)21;1-12-10-14(13-4-2-3-5-13)11-17-15(12)18-8-6-16-7-9-18;1-11-9-13(12-3-2-4-12)10-16-14(11)17-7-5-15-6-8-17;1-10(2)12-8-11(3)13(15-9-12)16-6-4-14-5-7-16;1-8-6-9(11(12,13)14)10(16-7-8)17-4-2-15-3-5-17;1-8-7-12-10(9(2)13-8)14-5-3-11-4-6-14;;/h7-10H,3-6H2,1-2H3;10-11,13,16H,2-9H2,1H3;9-10,12,15H,2-8H2,1H3;8-10,14H,4-7H2,1-3H3;6-7,15H,2-5H2,1H3;7,11H,3-6H2,1-2H3;2*1H.

What are the key properties of (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride?

(4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride has a molecular weight of 1616.74 g/mol, XLogP of 13.31, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromo-2,6-difluorophenyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone;1-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine;1-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine;3,5-dimethyl-2-piperazin-1-ylpyrazine;1-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine;1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]piperazine;dihydrochloride is sourced from PubChem (CID 159212028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).