(2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol

C123H170FN5O25 — CID 161473794

About (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol

(2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol (PubChem CID 161473794) has the molecular formula C123H170FN5O25 and a molecular weight of 2137.72 g/mol. Its IUPAC name is (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
• PubChem CID: 161473794
• Molecular Formula: C123H170FN5O25
• Molecular Weight: 2137.72 g/mol
• Exact Mass: 2136.22
• IUPAC Name: (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
• SMILES: Cc1cc(-c2ccccc2)ccc1COCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.Cc1cc(-c2ccccc2)ccc1COCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.Cc1cccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cc2)c1.OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1.OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/3C25H35NO5.C24H32FNO5.C24H33NO5/c2*1-18-14-20(19-8-4-2-5-9-19)10-11-21(18)17-31-13-7-3-6-12-26-15-23(28)25(30)24(29)22(26)16-27;1-18-6-5-7-21(14-18)20-10-8-19(9-11-20)17-31-13-4-2-3-12-26-15-23(28)25(30)24(29)22(26)16-27;25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27;26-16-21-23(28)24(29)22(27)15-25(21)13-5-2-6-14-30-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h2*2,4-5,8-11,14,22-25,27-30H,3,6-7,12-13,15-17H2,1H3;5-11,14,22-25,27-30H,2-4,12-13,15-17H2,1H3;1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2;1,3-4,7-12,21-24,26-29H,2,5-6,13-17H2/t3*22-,23+,24+,25-;2*21-,22+,23+,24-/m11111/s1
• InChIKey: WDLAVMFJRWJHND-OOGRAQMESA-N
• XLogP: 10.06
• TPSA: 466.95 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 30
• Rotatable Bonds: 50
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.72
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol?

The IUPAC name of (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol (CID 161473794) is (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol.

What is the SMILES notation for (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol?

The canonical SMILES for (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol is Cc1cc(-c2ccccc2)ccc1COCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.Cc1cc(-c2ccccc2)ccc1COCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO.Cc1cccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cc2)c1.OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1.OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1.

What is the InChIKey of (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol?

The InChIKey is WDLAVMFJRWJHND-OOGRAQMESA-N. The full InChI is InChI=1S/3C25H35NO5.C24H32FNO5.C24H33NO5/c2*1-18-14-20(19-8-4-2-5-9-19)10-11-21(18)17-31-13-7-3-6-12-26-15-23(28)25(30)24(29)22(26)16-27;1-18-6-5-7-21(14-18)20-10-8-19(9-11-20)17-31-13-4-2-3-12-26-15-23(28)25(30)24(29)22(26)16-27;25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27;26-16-21-23(28)24(29)22(27)15-25(21)13-5-2-6-14-30-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h2*2,4-5,8-11,14,22-25,27-30H,3,6-7,12-13,15-17H2,1H3;5-11,14,22-25,27-30H,2-4,12-13,15-17H2,1H3;1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2;1,3-4,7-12,21-24,26-29H,2,5-6,13-17H2/t3*22-,23+,24+,25-;2*21-,22+,23+,24-/m11111/s1.

What are the key properties of (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol?

(2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol has a molecular weight of 2137.72 g/mol, XLogP of 10.06, 50 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol;bis((2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol);(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3S,4R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol is sourced from PubChem (CID 161473794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).