(1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine

C113H147Cl2F5N10O17 — CID 158807414

About (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine

(1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine (PubChem CID 158807414) has the molecular formula C113H147Cl2F5N10O17 and a molecular weight of 2083.37 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine.

Molecular Properties

• Compound Name: (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine
• PubChem CID: 158807414
• Molecular Formula: C113H147Cl2F5N10O17
• Molecular Weight: 2083.37 g/mol
• Exact Mass: 2081.02
• IUPAC Name: (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine
• SMILES: C1CCNCC1.CC#CC#CC#CC.CC[C@@H](C)[C@H](O)c1cc(F)c2c(c1)OCCO2.C[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2.N[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@@H]1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1
• InChI: InChI=1S/2C27H33ClFN3O4.C17H24FNO3.C16H23FN2O3.C13H17FO3.C8H6.C5H11N/c2*28-20-4-6-21(7-5-20)32-11-8-18(16-32)27(34)30-23(17-31-9-2-1-3-10-31)25(33)19-14-22(29)26-24(15-19)35-12-13-36-26;1-12(11-19-5-3-2-4-6-19)16(20)13-9-14(18)17-15(10-13)21-7-8-22-17;17-12-8-11(9-14-16(12)22-7-6-21-14)15(20)13(18)10-19-4-2-1-3-5-19;1-3-8(2)12(15)9-6-10(14)13-11(7-9)16-4-5-17-13;1-3-5-7-8-6-4-2;1-2-4-6-5-3-1/h2*4-7,14-15,18,23,25,33H,1-3,8-13,16-17H2,(H,30,34);9-10,12,16,20H,2-8,11H2,1H3;8-9,13,15,20H,1-7,10,18H2;6-8,12,15H,3-5H2,1-2H3;1-2H3;6H,1-5H2/t18-,23+,25+;18-,23-,25-;12-,16+;13-,15-;8-,12+;;/m01111../s1
• InChIKey: IUGDZHYFNMFKCF-IIKZJITRSA-N
• XLogP: 16.23
• TPSA: 309.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2083.37
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine?

The IUPAC name of (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine (CID 158807414) is (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine.

What is the SMILES notation for (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine?

The canonical SMILES for (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine is C1CCNCC1.CC#CC#CC#CC.CC[C@@H](C)[C@H](O)c1cc(F)c2c(c1)OCCO2.C[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2.N[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@@H]1CCN(c2ccc(Cl)cc2)C1.O=C(N[C@H](CN1CCCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@H]1CCN(c2ccc(Cl)cc2)C1.

What is the InChIKey of (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine?

The InChIKey is IUGDZHYFNMFKCF-IIKZJITRSA-N. The full InChI is InChI=1S/2C27H33ClFN3O4.C17H24FNO3.C16H23FN2O3.C13H17FO3.C8H6.C5H11N/c2*28-20-4-6-21(7-5-20)32-11-8-18(16-32)27(34)30-23(17-31-9-2-1-3-10-31)25(33)19-14-22(29)26-24(15-19)35-12-13-36-26;1-12(11-19-5-3-2-4-6-19)16(20)13-9-14(18)17-15(10-13)21-7-8-22-17;17-12-8-11(9-14-16(12)22-7-6-21-14)15(20)13(18)10-19-4-2-1-3-5-19;1-3-8(2)12(15)9-6-10(14)13-11(7-9)16-4-5-17-13;1-3-5-7-8-6-4-2;1-2-4-6-5-3-1/h2*4-7,14-15,18,23,25,33H,1-3,8-13,16-17H2,(H,30,34);9-10,12,16,20H,2-8,11H2,1H3;8-9,13,15,20H,1-7,10,18H2;6-8,12,15H,3-5H2,1-2H3;1-2H3;6H,1-5H2/t18-,23+,25+;18-,23-,25-;12-,16+;13-,15-;8-,12+;;/m01111../s1.

What are the key properties of (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine?

(1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine has a molecular weight of 2083.37 g/mol, XLogP of 16.23, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-2-amino-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-piperidin-1-ylpropan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylbutan-1-ol;(1S,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methyl-3-piperidin-1-ylpropan-1-ol;octa-2,4,6-triyne;piperidine is sourced from PubChem (CID 158807414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).