4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine

C86H163F7N14O3 — CID 160916911

IUPAC4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
SMILESCCN1CCC[C@H]1C1CCN(C)CC1.CN1CCC(C2CCCN2C)CC1.CN1CCC([C@@H]2CCCN2CC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2CCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2CCF)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1.COCCN1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C13H23F3N2.C13H24N2O2.C13H26N2O.C12H21F3N2.C12H23FN2.C12H24N2.C11H22N2/c1-17-8-4-11(5-9-17)12-3-2-7-18(12)10-6-13(14,15)16;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2;1-14-8-5-12(6-9-14)13-4-3-7-15(13)10-11-16-2;1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15;1-14-8-4-11(5-9-14)12-3-2-7-15(12)10-6-13;1-3-14-8-4-5-12(14)11-6-9-13(2)10-7-11;1-12-8-5-10(6-9-12)11-4-3-7-13(11)2/h11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,2-9H2,1H3;11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3/t2*12-;13-;11-;2*12-;/m000000./s1
InChIKeySRNDTKDJUINHTN-MNIWZQMCSA-N
MW1574.33 g/mol
LogP12.50
Rot. Bonds18

About 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine

4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine (PubChem CID 160916911) has the molecular formula C86H163F7N14O3 and a molecular weight of 1574.33 g/mol. Its IUPAC name is 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
PubChem CID160916911
Molecular FormulaC86H163F7N14O3
Molecular Weight1574.33 g/mol
Exact Mass1573.29
IUPAC Name4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
SMILESCCN1CCC[C@H]1C1CCN(C)CC1.CN1CCC(C2CCCN2C)CC1.CN1CCC([C@@H]2CCCN2CC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2CCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2CCF)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1.COCCN1CCC[C@H]1C1CCN(C)CC1
InChIInChI=1S/C13H23F3N2.C13H24N2O2.C13H26N2O.C12H21F3N2.C12H23FN2.C12H24N2.C11H22N2/c1-17-8-4-11(5-9-17)12-3-2-7-18(12)10-6-13(14,15)16;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2;1-14-8-5-12(6-9-14)13-4-3-7-15(13)10-11-16-2;1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15;1-14-8-4-11(5-9-14)12-3-2-7-15(12)10-6-13;1-3-14-8-4-5-12(14)11-6-9-13(2)10-7-11;1-12-8-5-10(6-9-12)11-4-3-7-13(11)2/h11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,2-9H2,1H3;11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3/t2*12-;13-;11-;2*12-;/m000000./s1
InChIKeySRNDTKDJUINHTN-MNIWZQMCSA-N
XLogP12.50
TPSA80.89 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.33
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine (CID 160916911) is 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine is CCN1CCC[C@H]1C1CCN(C)CC1.CN1CCC(C2CCCN2C)CC1.CN1CCC([C@@H]2CCCN2CC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2CCC(F)(F)F)CC1.CN1CCC([C@@H]2CCCN2CCF)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1.COCCN1CCC[C@H]1C1CCN(C)CC1.
What is the InChIKey of 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
The InChIKey is SRNDTKDJUINHTN-MNIWZQMCSA-N. The full InChI is InChI=1S/C13H23F3N2.C13H24N2O2.C13H26N2O.C12H21F3N2.C12H23FN2.C12H24N2.C11H22N2/c1-17-8-4-11(5-9-17)12-3-2-7-18(12)10-6-13(14,15)16;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2;1-14-8-5-12(6-9-14)13-4-3-7-15(13)10-11-16-2;1-16-7-4-10(5-8-16)11-3-2-6-17(11)9-12(13,14)15;1-14-8-4-11(5-9-14)12-3-2-7-15(12)10-6-13;1-3-14-8-4-5-12(14)11-6-9-13(2)10-7-11;1-12-8-5-10(6-9-12)11-4-3-7-13(11)2/h11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,2-9H2,1H3;11-12H,2-10H2,1H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3/t2*12-;13-;11-;2*12-;/m000000./s1.
What are the key properties of 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine has a molecular weight of 1574.33 g/mol, XLogP of 12.50, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-ethylpyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine;4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methylpiperidine;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine;1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 160916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).