tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate

C134H168N12O16 — CID 159131144

About tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate

tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 159131144) has the molecular formula C134H168N12O16 and a molecular weight of 2202.89 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate
• PubChem CID: 159131144
• Molecular Formula: C134H168N12O16
• Molecular Weight: 2202.89 g/mol
• Exact Mass: 2201.27
• IUPAC Name: tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate
• SMILES: CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3)CCNC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3)CCNC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)n2)CCC1C(=O)OC(C)(C)C
• InChI: InChI=1S/2C34H43N3O4.2C33H41N3O4/c2*1-22-9-7-10-27(32(22)40-21-25-14-13-24-19-35-17-15-26(24)23(25)2)29-11-8-12-31(36-29)37-18-16-28(30(20-37)39-6)33(38)41-34(3,4)5;1-22-8-6-9-26(31(22)39-21-23-12-13-25-19-34-16-14-24(25)18-23)28-10-7-11-30(35-28)36-17-15-27(29(20-36)38-5)32(37)40-33(2,3)4;1-22-9-12-29(39-21-23-10-11-25-19-34-15-13-24(25)18-23)27(17-22)28-7-6-8-31(35-28)36-16-14-26(30(20-36)38-5)32(37)40-33(2,3)4/h2*7-14,28,30,35H,15-21H2,1-6H3;6-13,18,27,29,34H,14-17,19-21H2,1-5H3;6-12,17-18,26,30,34H,13-16,19-21H2,1-5H3/t28?,30-;28-,30+;27-,29+;26-,30+/m0001/s1
• InChIKey: KGXIHZDKIRISBO-ILRKOARJSA-N
• XLogP: 22.48
• TPSA: 291.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2202.89
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate?

The IUPAC name of tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate (CID 159131144) is tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate?

The canonical SMILES for tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate is CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3)CCNC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3)CCNC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNC4)n2)CCC1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate?

The InChIKey is KGXIHZDKIRISBO-ILRKOARJSA-N. The full InChI is InChI=1S/2C34H43N3O4.2C33H41N3O4/c2*1-22-9-7-10-27(32(22)40-21-25-14-13-24-19-35-17-15-26(24)23(25)2)29-11-8-12-31(36-29)37-18-16-28(30(20-37)39-6)33(38)41-34(3,4)5;1-22-8-6-9-26(31(22)39-21-23-12-13-25-19-34-16-14-24(25)18-23)28-10-7-11-30(35-28)36-17-15-27(29(20-36)38-5)32(37)40-33(2,3)4;1-22-9-12-29(39-21-23-10-11-25-19-34-15-13-24(25)18-23)27(17-22)28-7-6-8-31(35-28)36-16-14-26(30(20-36)38-5)32(37)40-33(2,3)4/h2*7-14,28,30,35H,15-21H2,1-6H3;6-13,18,27,29,34H,14-17,19-21H2,1-5H3;6-12,17-18,26,30,34H,13-16,19-21H2,1-5H3/t28?,30-;28-,30+;27-,29+;26-,30+/m0001/s1.

What are the key properties of tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate?

tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 2202.89 g/mol, XLogP of 22.48, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-methoxy-1-[6-[3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 159131144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).