[(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane

C112H132F9N9O6 — CID 158856175

About [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane

[(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane (PubChem CID 158856175) has the molecular formula C112H132F9N9O6 and a molecular weight of 1871.33 g/mol. Its IUPAC name is [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane.

Molecular Properties

• Compound Name: [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane
• PubChem CID: 158856175
• Molecular Formula: C112H132F9N9O6
• Molecular Weight: 1871.33 g/mol
• Exact Mass: 1870.02
• IUPAC Name: [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane
• SMILES: C.CCc1ccc2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2.FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](CNCCCc3ccccc3)CC[C@H]1[C@H](c1ccccc1)N2.FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](CN[C@H]3CCN(Cc4ccccc4)C3)CC[C@H]1[C@H](c1ccccc1)N2.OC1CCCN(C2CCN(C[C@H]3CC[C@@H]4[C@H](O3)c3cc(C(F)(F)F)ccc3N[C@H]4c3ccccc3)CC2)C1
• InChI: InChI=1S/C31H34F3N3O.C30H38F3N3O2.C29H31F3N2O.C21H25NO2.CH4/c32-31(33,34)23-11-14-28-27(17-23)30-26(29(36-28)22-9-5-2-6-10-22)13-12-25(38-30)18-35-24-15-16-37(20-24)19-21-7-3-1-4-8-21;31-30(32,33)21-8-11-27-26(17-21)29-25(28(34-27)20-5-2-1-3-6-20)10-9-24(38-29)19-35-15-12-22(13-16-35)36-14-4-7-23(37)18-36;30-29(31,32)22-13-16-26-25(18-22)28-24(27(34-26)21-11-5-2-6-12-21)15-14-23(35-28)19-33-17-7-10-20-8-3-1-4-9-20;1-2-14-8-11-19-18(12-14)21-17(10-9-16(13-23)24-21)20(22-19)15-6-4-3-5-7-15;/h1-11,14,17,24-26,29-30,35-36H,12-13,15-16,18-20H2;1-3,5-6,8,11,17,22-25,28-29,34,37H,4,7,9-10,12-16,18-19H2;1-6,8-9,11-13,16,18,23-24,27-28,33-34H,7,10,14-15,17,19H2;3-8,11-12,16-17,20-23H,2,9-10,13H2,1H3;1H4/t24-,25+,26-,29-,30-;23?,24-,25+,28+,29+;23-,24+,27+,28+;16-,17+,20+,21+;/m0110./s1
• InChIKey: JABPRBFGNNNCTK-RKZPIEMRSA-N
• XLogP: 24.01
• TPSA: 159.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.33
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane?

The IUPAC name of [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane (CID 158856175) is [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane.

What is the SMILES notation for [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane?

The canonical SMILES for [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane is C.CCc1ccc2c(c1)[C@@H]1O[C@H](CO)CC[C@@H]1[C@@H](c1ccccc1)N2.FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](CNCCCc3ccccc3)CC[C@H]1[C@H](c1ccccc1)N2.FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](CN[C@H]3CCN(Cc4ccccc4)C3)CC[C@H]1[C@H](c1ccccc1)N2.OC1CCCN(C2CCN(C[C@H]3CC[C@@H]4[C@H](O3)c3cc(C(F)(F)F)ccc3N[C@H]4c3ccccc3)CC2)C1.

What is the InChIKey of [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane?

The InChIKey is JABPRBFGNNNCTK-RKZPIEMRSA-N. The full InChI is InChI=1S/C31H34F3N3O.C30H38F3N3O2.C29H31F3N2O.C21H25NO2.CH4/c32-31(33,34)23-11-14-28-27(17-23)30-26(29(36-28)22-9-5-2-6-10-22)13-12-25(38-30)18-35-24-15-16-37(20-24)19-21-7-3-1-4-8-21;31-30(32,33)21-8-11-27-26(17-21)29-25(28(34-27)20-5-2-1-3-6-20)10-9-24(38-29)19-35-15-12-22(13-16-35)36-14-4-7-23(37)18-36;30-29(31,32)22-13-16-26-25(18-22)28-24(27(34-26)21-11-5-2-6-12-21)15-14-23(35-28)19-33-17-7-10-20-8-3-1-4-9-20;1-2-14-8-11-19-18(12-14)21-17(10-9-16(13-23)24-21)20(22-19)15-6-4-3-5-7-15;/h1-11,14,17,24-26,29-30,35-36H,12-13,15-16,18-20H2;1-3,5-6,8,11,17,22-25,28-29,34,37H,4,7,9-10,12-16,18-19H2;1-6,8-9,11-13,16,18,23-24,27-28,33-34H,7,10,14-15,17,19H2;3-8,11-12,16-17,20-23H,2,9-10,13H2,1H3;1H4/t24-,25+,26-,29-,30-;23?,24-,25+,28+,29+;23-,24+,27+,28+;16-,17+,20+,21+;/m0110./s1.

What are the key properties of [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane?

[(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane has a molecular weight of 1871.33 g/mol, XLogP of 24.01, 20 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4aR,5S,10bR)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methanol;(3S)-N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-1-benzylpyrrolidin-3-amine;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-phenylpropan-1-amine;1-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]piperidin-3-ol;methane is sourced from PubChem (CID 158856175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).