1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide

C76H109F5N10O5 — CID 157463189

About 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide

1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide (PubChem CID 157463189) has the molecular formula C76H109F5N10O5 and a molecular weight of 1337.76 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 157463189
• Molecular Formula: C76H109F5N10O5
• Molecular Weight: 1337.76 g/mol
• Exact Mass: 1336.85
• IUPAC Name: 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide
• SMILES: CC(C)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCN(CC(F)F)CC2)cc1.CC(C)c1cnc2c(c1)CCCO2.CC(C)c1cncc(C(N)=O)c1.COc1cc(C(C)C)ccc1N1CCN(C2COC2)CC1.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C17H26N2O2.C15H21F3N2.C15H22F2N2.C11H15NO.C9H12N2O.C9H13NO/c1-13(2)14-4-5-16(17(10-14)20-3)19-8-6-18(7-9-19)15-11-21-12-15;1-12(2)13-3-5-14(6-4-13)20-9-7-19(8-10-20)11-15(16,17)18;1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17;1-8(2)10-6-9-4-3-5-13-11(9)12-7-10;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)8-4-5-9(11-3)10-6-8/h4-5,10,13,15H,6-9,11-12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;6-8H,3-5H2,1-2H3;3-6H,1-2H3,(H2,10,12);4-7H,1-3H3
• InChIKey: BUDZHQQDVZCUMR-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 138.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.76
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide (CID 157463189) is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCN(CC(F)F)CC2)cc1.CC(C)c1cnc2c(c1)CCCO2.CC(C)c1cncc(C(N)=O)c1.COc1cc(C(C)C)ccc1N1CCN(C2COC2)CC1.COc1ccc(C(C)C)cn1.

What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide?

The InChIKey is BUDZHQQDVZCUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.C15H21F3N2.C15H22F2N2.C11H15NO.C9H12N2O.C9H13NO/c1-13(2)14-4-5-16(17(10-14)20-3)19-8-6-18(7-9-19)15-11-21-12-15;1-12(2)13-3-5-14(6-4-13)20-9-7-19(8-10-20)11-15(16,17)18;1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17;1-8(2)10-6-9-4-3-5-13-11(9)12-7-10;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)8-4-5-9(11-3)10-6-8/h4-5,10,13,15H,6-9,11-12H2,1-3H3;3-6,12H,7-11H2,1-2H3;3-6,12,15H,7-11H2,1-2H3;6-8H,3-5H2,1-2H3;3-6H,1-2H3,(H2,10,12);4-7H,1-3H3.

What are the key properties of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide?

1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide has a molecular weight of 1337.76 g/mol, XLogP of 15.08, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperazine;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;2-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine;5-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 157463189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).