6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one

C107H140N6O16 — CID 158372198

About 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one

6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one (PubChem CID 158372198) has the molecular formula C107H140N6O16 and a molecular weight of 1766.32 g/mol. Its IUPAC name is 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 158372198
• Molecular Formula: C107H140N6O16
• Molecular Weight: 1766.32 g/mol
• Exact Mass: 1765.03
• IUPAC Name: 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one
• SMILES: COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4C)cc3)cc21.COCCCN1CCCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21.COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21
• InChI: InChI=1S/C36H48N2O5.C36H46N2O5.C35H46N2O6/c1-39-21-6-20-38-19-5-8-30-11-10-28(25-34(30)38)27-43-36-26-37-18-16-33(36)29-12-14-32(15-13-29)42-24-23-41-22-17-31-7-3-4-9-35(31)40-2;1-27-7-3-4-8-31(27)26-41-21-6-22-42-32-14-11-29(12-15-32)33-17-18-37-24-35(33)43-25-28-9-10-30-13-16-36(39)38(34(30)23-28)19-5-20-40-2;1-38-19-5-17-37-18-21-42-34-13-8-27(24-32(34)37)26-43-35-25-36-16-14-31(35)28-9-11-30(12-10-28)41-23-22-40-20-15-29-6-3-4-7-33(29)39-2/h3-4,7,9-15,25,33,36-37H,5-6,8,16-24,26-27H2,1-2H3;3-4,7-12,14-15,23,33,35,37H,5-6,13,16-22,24-26H2,1-2H3;3-4,6-13,24,31,35-36H,5,14-23,25-26H2,1-2H3/t33-,36+;33-,35+;31-,35+/m111/s1
• InChIKey: GUTBGZZZSDFMMO-SLQSYDSXSA-N
• XLogP: 16.97
• TPSA: 201.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 47
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.32
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one (CID 158372198) is 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one is COCCCN1C(=O)CCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4C)cc3)cc21.COCCCN1CCCc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21.COCCCN1CCOc2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCOCCc4ccccc4OC)cc3)cc21.

What is the InChIKey of 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

The InChIKey is GUTBGZZZSDFMMO-SLQSYDSXSA-N. The full InChI is InChI=1S/C36H48N2O5.C36H46N2O5.C35H46N2O6/c1-39-21-6-20-38-19-5-8-30-11-10-28(25-34(30)38)27-43-36-26-37-18-16-33(36)29-12-14-32(15-13-29)42-24-23-41-22-17-31-7-3-4-9-35(31)40-2;1-27-7-3-4-8-31(27)26-41-21-6-22-42-32-14-11-29(12-15-32)33-17-18-37-24-35(33)43-25-28-9-10-30-13-16-36(39)38(34(30)23-28)19-5-20-40-2;1-38-19-5-17-37-18-21-42-34-13-8-27(24-32(34)37)26-43-35-25-36-16-14-31(35)28-9-11-30(12-10-28)41-23-22-40-20-15-29-6-3-4-7-33(29)39-2/h3-4,7,9-15,25,33,36-37H,5-6,8,16-24,26-27H2,1-2H3;3-4,7-12,14-15,23,33,35,37H,5-6,13,16-22,24-26H2,1-2H3;3-4,6-13,24,31,35-36H,5,14-23,25-26H2,1-2H3/t33-,36+;33-,35+;31-,35+/m111/s1.

What are the key properties of 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one?

6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 1766.32 g/mol, XLogP of 16.97, 47 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydro-2H-quinoline;1-(3-methoxypropyl)-7-[[(3R,4R)-4-[4-[3-[(2-methylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 158372198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).