1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol

C171H218N12O15 — CID 159061085

About 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol

1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol (PubChem CID 159061085) has the molecular formula C171H218N12O15 and a molecular weight of 2681.69 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol
• PubChem CID: 159061085
• Molecular Formula: C171H218N12O15
• Molecular Weight: 2681.69 g/mol
• Exact Mass: 2679.67
• IUPAC Name: 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol
• SMILES: CC(C)n1nccc1-c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1.CN(Cc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)C1CCCC1.OC(COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCNCC2)cc1)CN1CCc2ccccc2C1.OC(COc1cccc(OCc2ccccc2)c1)CN1CCc2ccccc2C1.O[C@@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1
• InChI: InChI=1S/C25H34N2O2.C25H27NO3.2C25H33NO2.C24H29N3O2.C24H32N2O2.C23H30N2O2/c1-26(23-8-4-5-9-23)16-20-10-12-25(13-11-20)29-19-24(28)18-27-15-14-21-6-2-3-7-22(21)17-27;27-23(17-26-14-13-21-9-4-5-10-22(21)16-26)19-29-25-12-6-11-24(15-25)28-18-20-7-2-1-3-8-20;2*27-24(18-26-15-14-22-9-3-4-10-23(22)17-26)19-28-25-11-5-8-21(16-25)13-12-20-6-1-2-7-20;1-18(2)27-24(11-13-25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-14-12-19-5-3-4-6-21(19)15-26;27-23(18-26-13-10-21-8-4-5-9-22(21)17-26)19-28-24-11-14-25(15-12-24)16-20-6-2-1-3-7-20;26-22(16-25-14-11-18-3-1-2-4-21(18)15-25)17-27-23-7-5-19(6-8-23)20-9-12-24-13-10-20/h2-3,6-7,10-13,23-24,28H,4-5,8-9,14-19H2,1H3;1-12,15,23,27H,13-14,16-19H2;2*3-5,8-11,16,20,24,27H,1-2,6-7,12-15,17-19H2;3-11,13,18,22,28H,12,14-17H2,1-2H3;1-9,23-24,27H,10-19H2;1-8,20,22,24,26H,9-17H2/t;;2*24-;;;/m..10.../s1
• InChIKey: JYMALOQBVDNRDH-OKFVETQGSA-N
• XLogP: 27.10
• TPSA: 274.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 52
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2681.69
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?

The IUPAC name of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol (CID 159061085) is 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?

The canonical SMILES for 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol is CC(C)n1nccc1-c1ccc(OCC(O)CN2CCc3ccccc3C2)cc1.CN(Cc1ccc(OCC(O)CN2CCc3ccccc3C2)cc1)C1CCCC1.OC(COC1CCN(Cc2ccccc2)CC1)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCNCC2)cc1)CN1CCc2ccccc2C1.OC(COc1cccc(OCc2ccccc2)c1)CN1CCc2ccccc2C1.O[C@@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(CCC2CCCC2)c1)CN1CCc2ccccc2C1.

What is the InChIKey of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?

The InChIKey is JYMALOQBVDNRDH-OKFVETQGSA-N. The full InChI is InChI=1S/C25H34N2O2.C25H27NO3.2C25H33NO2.C24H29N3O2.C24H32N2O2.C23H30N2O2/c1-26(23-8-4-5-9-23)16-20-10-12-25(13-11-20)29-19-24(28)18-27-15-14-21-6-2-3-7-22(21)17-27;27-23(17-26-14-13-21-9-4-5-10-22(21)16-26)19-29-25-12-6-11-24(15-25)28-18-20-7-2-1-3-8-20;2*27-24(18-26-15-14-22-9-3-4-10-23(22)17-26)19-28-25-11-5-8-21(16-25)13-12-20-6-1-2-7-20;1-18(2)27-24(11-13-25-27)20-7-9-23(10-8-20)29-17-22(28)16-26-14-12-19-5-3-4-6-21(19)15-26;27-23(18-26-13-10-21-8-4-5-9-22(21)17-26)19-28-24-11-14-25(15-12-24)16-20-6-2-1-3-7-20;26-22(16-25-14-11-18-3-1-2-4-21(18)15-25)17-27-23-7-5-19(6-8-23)20-9-12-24-13-10-20/h2-3,6-7,10-13,23-24,28H,4-5,8-9,14-19H2,1H3;1-12,15,23,27H,13-14,16-19H2;2*3-5,8-11,16,20,24,27H,1-2,6-7,12-15,17-19H2;3-11,13,18,22,28H,12,14-17H2,1-2H3;1-9,23-24,27H,10-19H2;1-8,20,22,24,26H,9-17H2/t;;2*24-;;;/m..10.../s1.

What are the key properties of 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol?

1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol has a molecular weight of 2681.69 g/mol, XLogP of 27.10, 52 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2R)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;(2S)-1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[[cyclopentyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylmethoxyphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-4-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-propan-2-ylpyrazol-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 159061085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).