1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride

C76H104Cl10N4O9 — CID 161229794

About 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride

1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride (PubChem CID 161229794) has the molecular formula C76H104Cl10N4O9 and a molecular weight of 1572.22 g/mol. Its IUPAC name is 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride.

Molecular Properties

• Compound Name: 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride
• PubChem CID: 161229794
• Molecular Formula: C76H104Cl10N4O9
• Molecular Weight: 1572.22 g/mol
• Exact Mass: 1566.47
• IUPAC Name: 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride
• SMILES: CC(=O)OC1CCN([C@@H]2CCCCC2OCCc2cccc3ccccc23)C1.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1COC1CCCC[C@H]1N1CCOCC1.O=C1CCN([C@@H]2CCCCC2OCc2c(Cl)cccc2Cl)C1.OC1CCN(C2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1
• InChI: InChI=1S/C24H31NO3.C18H25Cl2NO2.C17H23Cl2NO2.C17H21Cl2NO2.4ClH/c1-18(26)28-21-13-15-25(17-21)23-11-4-5-12-24(23)27-16-14-20-9-6-8-19-7-2-3-10-22(19)20;19-15-4-3-5-16(20)14(15)9-11-23-18-7-2-1-6-17(18)21-10-8-13(22)12-21;18-14-4-3-5-15(19)13(14)12-22-17-7-2-1-6-16(17)20-8-10-21-11-9-20;18-14-4-3-5-15(19)13(14)11-22-17-7-2-1-6-16(17)20-9-8-12(21)10-20;;;;/h2-3,6-10,21,23-24H,4-5,11-17H2,1H3;3-5,13,17-18,22H,1-2,6-12H2;3-5,16-17H,1-2,6-12H2;3-5,16-17H,1-2,6-11H2;4*1H/t21?,23-,24?;13?,17?,18-;2*16-,17?;;;;/m1011..../s1
• InChIKey: OMIGFWGFMLFCDZ-HTHWACPUSA-N
• XLogP: 18.21
• TPSA: 122.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.22
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride?

The IUPAC name of 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride (CID 161229794) is 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride.

What is the SMILES notation for 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride?

The canonical SMILES for 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride is CC(=O)OC1CCN([C@@H]2CCCCC2OCCc2cccc3ccccc23)C1.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1COC1CCCC[C@H]1N1CCOCC1.O=C1CCN([C@@H]2CCCCC2OCc2c(Cl)cccc2Cl)C1.OC1CCN(C2CCCC[C@@H]2OCCc2c(Cl)cccc2Cl)C1.

What is the InChIKey of 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride?

The InChIKey is OMIGFWGFMLFCDZ-HTHWACPUSA-N. The full InChI is InChI=1S/C24H31NO3.C18H25Cl2NO2.C17H23Cl2NO2.C17H21Cl2NO2.4ClH/c1-18(26)28-21-13-15-25(17-21)23-11-4-5-12-24(23)27-16-14-20-9-6-8-19-7-2-3-10-22(19)20;19-15-4-3-5-16(20)14(15)9-11-23-18-7-2-1-6-17(18)21-10-8-13(22)12-21;18-14-4-3-5-15(19)13(14)12-22-17-7-2-1-6-16(17)20-8-10-21-11-9-20;18-14-4-3-5-15(19)13(14)11-22-17-7-2-1-6-16(17)20-9-8-12(21)10-20;;;;/h2-3,6-10,21,23-24H,4-5,11-17H2,1H3;3-5,13,17-18,22H,1-2,6-12H2;3-5,16-17H,1-2,6-12H2;3-5,16-17H,1-2,6-11H2;4*1H/t21?,23-,24?;13?,17?,18-;2*16-,17?;;;;/m1011..../s1.

What are the key properties of 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride?

1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride has a molecular weight of 1572.22 g/mol, XLogP of 18.21, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[2-(2,6-dichlorophenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;4-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]morpholine;1-[(1R)-2-[(2,6-dichlorophenyl)methoxy]cyclohexyl]pyrrolidin-3-one;[1-[(1R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidin-3-yl] acetate;tetrahydrochloride is sourced from PubChem (CID 161229794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).