6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one

C134H168F2N8O18 — CID 157186016

About 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one

6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one (PubChem CID 157186016) has the molecular formula C134H168F2N8O18 and a molecular weight of 2216.85 g/mol. Its IUPAC name is 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one.

Molecular Properties

• Compound Name: 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one
• PubChem CID: 157186016
• Molecular Formula: C134H168F2N8O18
• Molecular Weight: 2216.85 g/mol
• Exact Mass: 2215.24
• IUPAC Name: 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one
• SMILES: COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCC(F)(F)COc4ccccc4)cc3)cc21.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2N(C)C(=O)C3(C)C)cc1.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2N(C)CC3(C)C)cc1.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2NCC3(C)C)cc1
• InChI: InChI=1S/C34H42N2O5.C34H44N2O4.C33H40F2N2O5.C33H42N2O4/c1-34(2)29-11-7-10-26(32(29)36(3)33(34)37)23-41-31-21-35-18-17-28(31)24-13-15-27(16-14-24)40-20-8-19-39-22-25-9-5-6-12-30(25)38-4;1-34(2)24-36(3)33-27(10-7-11-30(33)34)23-40-32-21-35-18-17-29(32)25-13-15-28(16-14-25)39-20-8-19-38-22-26-9-5-6-12-31(26)37-4;1-38-18-5-16-37-17-19-39-31-13-8-25(20-30(31)37)22-40-32-21-36-15-14-29(32)26-9-11-28(12-10-26)42-24-33(34,35)23-41-27-6-3-2-4-7-27;1-33(2)23-35-32-26(9-6-10-29(32)33)22-39-31-20-34-17-16-28(31)24-12-14-27(15-13-24)38-19-7-18-37-21-25-8-4-5-11-30(25)36-3/h5-7,9-16,28,31,35H,8,17-23H2,1-4H3;5-7,9-16,29,32,35H,8,17-24H2,1-4H3;2-4,6-13,20,29,32,36H,5,14-19,21-24H2,1H3;4-6,8-15,28,31,34-35H,7,16-23H2,1-3H3/t28-,31+;2*29-,32+;28-,31+/m1111/s1
• InChIKey: APCYXPKWUZBQDH-XHMVWHJQSA-N
• XLogP: 23.39
• TPSA: 243.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 50
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.85
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one?

The IUPAC name of 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one (CID 157186016) is 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one.

What is the SMILES notation for 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one?

The canonical SMILES for 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one is COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCC(F)(F)COc4ccccc4)cc3)cc21.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2N(C)C(=O)C3(C)C)cc1.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2N(C)CC3(C)C)cc1.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cccc3c2NCC3(C)C)cc1.

What is the InChIKey of 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one?

The InChIKey is APCYXPKWUZBQDH-XHMVWHJQSA-N. The full InChI is InChI=1S/C34H42N2O5.C34H44N2O4.C33H40F2N2O5.C33H42N2O4/c1-34(2)29-11-7-10-26(32(29)36(3)33(34)37)23-41-31-21-35-18-17-28(31)24-13-15-27(16-14-24)40-20-8-19-39-22-25-9-5-6-12-30(25)38-4;1-34(2)24-36(3)33-27(10-7-11-30(33)34)23-40-32-21-35-18-17-29(32)25-13-15-28(16-14-25)39-20-8-19-38-22-26-9-5-6-12-31(26)37-4;1-38-18-5-16-37-17-19-39-31-13-8-25(20-30(31)37)22-40-32-21-36-15-14-29(32)26-9-11-28(12-10-26)42-24-33(34,35)23-41-27-6-3-2-4-7-27;1-33(2)23-35-32-26(9-6-10-29(32)33)22-39-31-20-34-17-16-28(31)24-12-14-27(15-13-24)38-19-7-18-37-21-25-8-4-5-11-30(25)36-3/h5-7,9-16,28,31,35H,8,17-23H2,1-4H3;5-7,9-16,29,32,35H,8,17-24H2,1-4H3;2-4,6-13,20,29,32,36H,5,14-19,21-24H2,1H3;4-6,8-15,28,31,34-35H,7,16-23H2,1-3H3/t28-,31+;2*29-,32+;28-,31+/m1111/s1.

What are the key properties of 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one?

6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one has a molecular weight of 2216.85 g/mol, XLogP of 23.39, 50 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 157186016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).