2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate

C105H192F4N18O15 — CID 157307510

About 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate

2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 157307510) has the molecular formula C105H192F4N18O15 and a molecular weight of 2022.79 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
• PubChem CID: 157307510
• Molecular Formula: C105H192F4N18O15
• Molecular Weight: 2022.79 g/mol
• Exact Mass: 2021.48
• IUPAC Name: 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate
• SMILES: CCC(=O)N1CCCC1C1CCN(C)CC1.CCOC(=O)N1CCCC1C1CCN(C)CC1.CN(C)CCOC(=O)N1CCC[C@H]1C1CCN(C)CC1.CN1CCC([C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2C(=O)OCCF)CC1.CNCCOC(=O)N1CCC[C@H]1C1CCN(C)CC1.COC(=O)N1CCC[C@@H]1C1CCN(C)CC1.COC(=O)N1CCC[C@H]1C1CCN(C)CC1
• InChI: InChI=1S/C15H29N3O2.C14H27N3O2.C13H21F3N2O2.C13H23FN2O2.C13H24N2O2.C13H24N2O.2C12H22N2O2/c1-16(2)11-12-20-15(19)18-8-4-5-14(18)13-6-9-17(3)10-7-13;1-15-7-11-19-14(18)17-8-3-4-13(17)12-5-9-16(2)10-6-12;1-17-7-4-10(5-8-17)11-3-2-6-18(11)12(19)20-9-13(14,15)16;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13(17)18-10-6-14;1-3-17-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11;1-3-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11;2*1-13-8-5-10(6-9-13)11-4-3-7-14(11)12(15)16-2/h13-14H,4-12H2,1-3H3;12-13,15H,3-11H2,1-2H3;10-11H,2-9H2,1H3;11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;2*10-11H,3-9H2,1-2H3/t14-;13-;11-;12-;;;2*11-/m0000..10/s1
• InChIKey: BCQQZOSZMGHUSU-FVWAYIQISA-N
• XLogP: 13.83
• TPSA: 268.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.79
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate (CID 157307510) is 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate is CCC(=O)N1CCCC1C1CCN(C)CC1.CCOC(=O)N1CCCC1C1CCN(C)CC1.CN(C)CCOC(=O)N1CCC[C@H]1C1CCN(C)CC1.CN1CCC([C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2C(=O)OCCF)CC1.CNCCOC(=O)N1CCC[C@H]1C1CCN(C)CC1.COC(=O)N1CCC[C@@H]1C1CCN(C)CC1.COC(=O)N1CCC[C@H]1C1CCN(C)CC1.

What is the InChIKey of 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?

The InChIKey is BCQQZOSZMGHUSU-FVWAYIQISA-N. The full InChI is InChI=1S/C15H29N3O2.C14H27N3O2.C13H21F3N2O2.C13H23FN2O2.C13H24N2O2.C13H24N2O.2C12H22N2O2/c1-16(2)11-12-20-15(19)18-8-4-5-14(18)13-6-9-17(3)10-7-13;1-15-7-11-19-14(18)17-8-3-4-13(17)12-5-9-16(2)10-6-12;1-17-7-4-10(5-8-17)11-3-2-6-18(11)12(19)20-9-13(14,15)16;1-15-8-4-11(5-9-15)12-3-2-7-16(12)13(17)18-10-6-14;1-3-17-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11;1-3-13(16)15-8-4-5-12(15)11-6-9-14(2)10-7-11;2*1-13-8-5-10(6-9-13)11-4-3-7-14(11)12(15)16-2/h13-14H,4-12H2,1-3H3;12-13,15H,3-11H2,1-2H3;10-11H,2-9H2,1H3;11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;2*10-11H,3-9H2,1-2H3/t14-;13-;11-;12-;;;2*11-/m0000..10/s1.

What are the key properties of 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate?

2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 2022.79 g/mol, XLogP of 13.83, 19 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;ethyl 2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-fluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;2-(methylamino)ethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2R)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;methyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate;1-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one;2,2,2-trifluoroethyl (2S)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 157307510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).