(8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

C136H175N15O10 — CID 159140817

About (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline

(8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 159140817) has the molecular formula C136H175N15O10 and a molecular weight of 2179.99 g/mol. Its IUPAC name is (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
• PubChem CID: 159140817
• Molecular Formula: C136H175N15O10
• Molecular Weight: 2179.99 g/mol
• Exact Mass: 2178.36
• IUPAC Name: (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
• SMILES: c1ccc(COCC[C@@H]2CCCC3CCN(c4cncc(OC[C@@H]5CCCN5)c4)CC32)cc1.c1ccc(COCC[C@H]2CCCC3CCN(c4cncc(OC[C@@H]5CCCN5)c4)CC32)cc1.c1ccc(COC[C@H]2CCC3CCN(c4cncc(OC[C@@H]5CCCN5)c4)CC3C2)cc1.c1ccc(COCc2cccc3c2CCN(c2cncc(OC[C@@H]4CCCN4)c2)C3)cc1.c1ccc(COc2ccc3c(c2)CCN(c2cncc(OC[C@@H]4CCCN4)c2)C3)cc1
• InChI: InChI=1S/2C28H39N3O2.C27H31N3O2.C27H37N3O2.C26H29N3O2/c2*1-2-6-22(7-3-1)20-32-15-12-24-9-4-8-23-11-14-31(19-28(23)24)26-16-27(18-29-17-26)33-21-25-10-5-13-30-25;1-2-6-21(7-3-1)18-31-19-23-9-4-8-22-17-30(13-11-27(22)23)25-14-26(16-28-15-25)32-20-24-10-5-12-29-24;1-2-5-21(6-3-1)18-31-19-22-8-9-23-10-12-30(17-24(23)13-22)26-14-27(16-28-15-26)32-20-25-7-4-11-29-25;1-2-5-20(6-3-1)18-30-25-9-8-22-17-29(12-10-21(22)13-25)24-14-26(16-27-15-24)31-19-23-7-4-11-28-23/h2*1-3,6-7,16-18,23-25,28,30H,4-5,8-15,19-21H2;1-4,6-9,14-16,24,29H,5,10-13,17-20H2;1-3,5-6,14-16,22-25,29H,4,7-13,17-20H2;1-3,5-6,8-9,13-16,23,28H,4,7,10-12,17-19H2/t23?,24-,25+,28?;23?,24-,25-,28?;24-;22-,23?,24?,25-;23-/m10000/s1
• InChIKey: KIBLYGZEUFIHKR-DYYHHIQKSA-N
• XLogP: 23.64
• TPSA: 233.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.99
LogP ≤ 5	23.64
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 (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?

The IUPAC name of (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 159140817) is (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is c1ccc(COCC[C@@H]2CCCC3CCN(c4cncc(OC[C@@H]5CCCN5)c4)CC32)cc1.c1ccc(COCC[C@H]2CCCC3CCN(c4cncc(OC[C@@H]5CCCN5)c4)CC32)cc1.c1ccc(COC[C@H]2CCC3CCN(c4cncc(OC[C@@H]5CCCN5)c4)CC3C2)cc1.c1ccc(COCc2cccc3c2CCN(c2cncc(OC[C@@H]4CCCN4)c2)C3)cc1.c1ccc(COc2ccc3c(c2)CCN(c2cncc(OC[C@@H]4CCCN4)c2)C3)cc1.

What is the InChIKey of (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?

The InChIKey is KIBLYGZEUFIHKR-DYYHHIQKSA-N. The full InChI is InChI=1S/2C28H39N3O2.C27H31N3O2.C27H37N3O2.C26H29N3O2/c2*1-2-6-22(7-3-1)20-32-15-12-24-9-4-8-23-11-14-31(19-28(23)24)26-16-27(18-29-17-26)33-21-25-10-5-13-30-25;1-2-6-21(7-3-1)18-31-19-23-9-4-8-22-17-30(13-11-27(22)23)25-14-26(16-28-15-25)32-20-24-10-5-12-29-24;1-2-5-21(6-3-1)18-31-19-22-8-9-23-10-12-30(17-24(23)13-22)26-14-27(16-28-15-26)32-20-25-7-4-11-29-25;1-2-5-20(6-3-1)18-30-25-9-8-22-17-29(12-10-21(22)13-25)24-14-26(16-27-15-24)31-19-23-7-4-11-28-23/h2*1-3,6-7,16-18,23-25,28,30H,4-5,8-15,19-21H2;1-4,6-9,14-16,24,29H,5,10-13,17-20H2;1-3,5-6,14-16,22-25,29H,4,7-13,17-20H2;1-3,5-6,8-9,13-16,23,28H,4,7,10-12,17-19H2/t23?,24-,25+,28?;23?,24-,25-,28?;24-;22-,23?,24?,25-;23-/m10000/s1.

What are the key properties of (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline?

(8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 2179.99 g/mol, XLogP of 23.64, 41 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(8S)-8-(2-phenylmethoxyethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(7S)-7-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline;6-phenylmethoxy-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 159140817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).