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

C151H211F3N6O30 — CID 159251998

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane (PubChem CID 159251998) has the molecular formula C151H211F3N6O30 and a molecular weight of 2647.35 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane
• PubChem CID: 159251998
• Molecular Formula: C151H211F3N6O30
• Molecular Weight: 2647.35 g/mol
• Exact Mass: 2645.51
• IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane
• SMILES: C.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.Cc1cc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2CO)ccc1-c1ccccc1.Cc1cc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)ccc1-c1ccccc1.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(-c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C25H32F3NO5.5C25H35NO5.CH4/c26-25(27,28)20-6-4-5-19(13-20)18-9-7-17(8-10-18)16-34-12-3-1-2-11-29-14-22(31)24(33)23(32)21(29)15-30;2*1-18-14-19(10-11-21(18)20-8-4-2-5-9-20)17-31-13-7-3-6-12-26-15-23(28)25(30)24(29)22(26)16-27;2*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;/h4-10,13,21-24,30-33H,1-3,11-12,14-16H2;4*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;1H4/t21-,22+,23-,24-;22-,23+,24-,25-;22-,23-,24+,25+;22-,23+,24-,25-;22-,23-,24+,25+;22-,23+,24-,25-;/m110101./s1
• InChIKey: KVKJBPKXFZWTFQ-GKWHNXTISA-N
• XLogP: 14.00
• TPSA: 560.34 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 36
• Rotatable Bonds: 60
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2647.35
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane (CID 159251998) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane.

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

The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane is C.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.Cc1cc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2CO)ccc1-c1ccccc1.Cc1cc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)ccc1-c1ccccc1.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(-c2cccc(C(F)(F)F)c2)cc1.

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

The InChIKey is KVKJBPKXFZWTFQ-GKWHNXTISA-N. The full InChI is InChI=1S/C25H32F3NO5.5C25H35NO5.CH4/c26-25(27,28)20-6-4-5-19(13-20)18-9-7-17(8-10-18)16-34-12-3-1-2-11-29-14-22(31)24(33)23(32)21(29)15-30;2*1-18-14-19(10-11-21(18)20-8-4-2-5-9-20)17-31-13-7-3-6-12-26-15-23(28)25(30)24(29)22(26)16-27;2*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;/h4-10,13,21-24,30-33H,1-3,11-12,14-16H2;4*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;1H4/t21-,22+,23-,24-;22-,23+,24-,25-;22-,23-,24+,25+;22-,23+,24-,25-;22-,23-,24+,25+;22-,23+,24-,25-;/m110101./s1.

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane has a molecular weight of 2647.35 g/mol, XLogP of 14.00, 60 rotatable bonds, 24 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(2-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[(3-methyl-4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-(3-methylphenyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]pentyl]piperidine-3,4,5-triol;methane is sourced from PubChem (CID 159251998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).