(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine

C133H184Cl3N13O21 — CID 161478870

About (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine

(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine (PubChem CID 161478870) has the molecular formula C133H184Cl3N13O21 and a molecular weight of 2407.36 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine.

Molecular Properties

• Compound Name: (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine
• PubChem CID: 161478870
• Molecular Formula: C133H184Cl3N13O21
• Molecular Weight: 2407.36 g/mol
• Exact Mass: 2404.28
• IUPAC Name: (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine
• SMILES: C.C1CCNCC1.CC[C@@H](C)[C@H](O)c1ccc2c(c1)OCCO2.C[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2.N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1
• InChI: InChI=1S/3C27H34ClN3O4.C17H25NO3.C16H24N2O3.C13H18O3.C5H11N.CH4/c3*28-21-5-7-22(8-6-21)31-13-10-20(17-31)27(33)29-23(18-30-11-2-1-3-12-30)26(32)19-4-9-24-25(16-19)35-15-14-34-24;1-13(12-18-7-3-2-4-8-18)17(19)14-5-6-15-16(11-14)21-10-9-20-15;17-13(11-18-6-2-1-3-7-18)16(19)12-4-5-14-15(10-12)21-9-8-20-14;1-3-9(2)13(14)10-4-5-11-12(8-10)16-7-6-15-11;1-2-4-6-5-3-1;/h3*4-9,16,20,23,26,32H,1-3,10-15,17-18H2,(H,29,33);5-6,11,13,17,19H,2-4,7-10,12H2,1H3;4-5,10,13,16,19H,1-3,6-9,11,17H2;4-5,8-9,13-14H,3,6-7H2,1-2H3;6H,1-5H2;1H4/t20?,23-,26-;20-,23+,26+;20-,23-,26-;13-,17+;13-,16-;9-,13+;;/m101111../s1
• InChIKey: WEBVVNRTCZHMOM-DZSOHAOYSA-N
• XLogP: 18.78
• TPSA: 383.41 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2407.36
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine?

The IUPAC name of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine (CID 161478870) is (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine.

What is the SMILES notation for (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine?

The canonical SMILES for (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine is C.C1CCNCC1.CC[C@@H](C)[C@H](O)c1ccc2c(c1)OCCO2.C[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2.N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1.

What is the InChIKey of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine?

The InChIKey is WEBVVNRTCZHMOM-DZSOHAOYSA-N. The full InChI is InChI=1S/3C27H34ClN3O4.C17H25NO3.C16H24N2O3.C13H18O3.C5H11N.CH4/c3*28-21-5-7-22(8-6-21)31-13-10-20(17-31)27(33)29-23(18-30-11-2-1-3-12-30)26(32)19-4-9-24-25(16-19)35-15-14-34-24;1-13(12-18-7-3-2-4-8-18)17(19)14-5-6-15-16(11-14)21-10-9-20-15;17-13(11-18-6-2-1-3-7-18)16(19)12-4-5-14-15(10-12)21-9-8-20-14;1-3-9(2)13(14)10-4-5-11-12(8-10)16-7-6-15-11;1-2-4-6-5-3-1;/h3*4-9,16,20,23,26,32H,1-3,10-15,17-18H2,(H,29,33);5-6,11,13,17,19H,2-4,7-10,12H2,1H3;4-5,10,13,16,19H,1-3,6-9,11,17H2;4-5,8-9,13-14H,3,6-7H2,1-2H3;6H,1-5H2;1H4/t20?,23-,26-;20-,23+,26+;20-,23-,26-;13-,17+;13-,16-;9-,13+;;/m101111../s1.

What are the key properties of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine?

(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine has a molecular weight of 2407.36 g/mol, XLogP of 18.78, 32 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutan-1-ol;(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;methane;piperidine is sourced from PubChem (CID 161478870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).