5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine

C110H121ClF10N10O5 — CID 159347079

About 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine

5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine (PubChem CID 159347079) has the molecular formula C110H121ClF10N10O5 and a molecular weight of 1888.68 g/mol. Its IUPAC name is 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

• Compound Name: 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine
• PubChem CID: 159347079
• Molecular Formula: C110H121ClF10N10O5
• Molecular Weight: 1888.68 g/mol
• Exact Mass: 1886.91
• IUPAC Name: 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine
• SMILES: CC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cc(F)ncc2Cl)c1.CC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccncc2)c1.CN1CCN(c2cc(-c3cc(COCC4(c5ccccc5)CCNCC4)cc(C(C)(F)F)c3)ccn2)CC1.COc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(C)(F)F)c2)c(F)cn1
• InChI: InChI=1S/C31H38F2N4O.C27H29F3N2O2.C26H26ClF3N2O.C26H28F2N2O/c1-30(32,33)28-19-24(22-38-23-31(9-12-34-13-10-31)27-6-4-3-5-7-27)18-26(20-28)25-8-11-35-29(21-25)37-16-14-36(2)15-17-37;1-26(29,30)22-13-19(12-20(14-22)23-15-25(33-2)32-16-24(23)28)17-34-18-27(8-10-31-11-9-27)21-6-4-3-5-7-21;1-25(29,30)21-12-18(11-19(13-21)22-14-24(28)32-15-23(22)27)16-33-17-26(7-9-31-10-8-26)20-5-3-2-4-6-20;1-25(27,28)24-16-20(15-22(17-24)21-7-11-29-12-8-21)18-31-19-26(9-13-30-14-10-26)23-5-3-2-4-6-23/h3-8,11,18-21,34H,9-10,12-17,22-23H2,1-2H3;3-7,12-16,31H,8-11,17-18H2,1-2H3;2-6,11-15,31H,7-10,16-17H2,1H3;2-8,11-12,15-17,30H,9-10,13-14,18-19H2,1H3
• InChIKey: LGVYGGMZZMABEN-UHFFFAOYSA-N
• XLogP: 23.49
• TPSA: 152.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1888.68
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine?

The IUPAC name of 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine (CID 159347079) is 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine.

What is the SMILES notation for 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine?

The canonical SMILES for 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine is CC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2cc(F)ncc2Cl)c1.CC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccncc2)c1.CN1CCN(c2cc(-c3cc(COCC4(c5ccccc5)CCNCC4)cc(C(C)(F)F)c3)ccn2)CC1.COc1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(C)(F)F)c2)c(F)cn1.

What is the InChIKey of 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine?

The InChIKey is LGVYGGMZZMABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F2N4O.C27H29F3N2O2.C26H26ClF3N2O.C26H28F2N2O/c1-30(32,33)28-19-24(22-38-23-31(9-12-34-13-10-31)27-6-4-3-5-7-27)18-26(20-28)25-8-11-35-29(21-25)37-16-14-36(2)15-17-37;1-26(29,30)22-13-19(12-20(14-22)23-15-25(33-2)32-16-24(23)28)17-34-18-27(8-10-31-11-9-27)21-6-4-3-5-7-21;1-25(29,30)21-12-18(11-19(13-21)22-14-24(28)32-15-23(22)27)16-33-17-26(7-9-31-10-8-26)20-5-3-2-4-6-20;1-25(27,28)24-16-20(15-22(17-24)21-7-11-29-12-8-21)18-31-19-26(9-13-30-14-10-26)23-5-3-2-4-6-23/h3-8,11,18-21,34H,9-10,12-17,22-23H2,1-2H3;3-7,12-16,31H,8-11,17-18H2,1-2H3;2-6,11-15,31H,7-10,16-17H2,1H3;2-8,11-12,15-17,30H,9-10,13-14,18-19H2,1H3.

What are the key properties of 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine?

5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine has a molecular weight of 1888.68 g/mol, XLogP of 23.49, 30 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-fluoropyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-5-fluoro-2-methoxypyridine;4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]pyridine;1-[4-[3-(1,1-difluoroethyl)-5-[(4-phenylpiperidin-4-yl)methoxymethyl]phenyl]-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 159347079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).