(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol

C104H162N24O20 — CID 159313163

About (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol (PubChem CID 159313163) has the molecular formula C104H162N24O20 and a molecular weight of 2068.59 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol
• PubChem CID: 159313163
• Molecular Formula: C104H162N24O20
• Molecular Weight: 2068.59 g/mol
• Exact Mass: 2067.24
• IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol
• SMILES: Cc1cc(-n2cccn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cc1cc(-n2cncn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cc1cc(-n2cnnn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc1ccc(-n2ccnc2)cc1.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc1ccc(-n2cnnc2)cc1
• InChI: InChI=1S/C22H34N4O4.C21H33N5O4.C21H32N4O4.C20H32N6O4.C20H31N5O4/c1-16-13-17(26-12-6-10-24-26)7-8-18(16)23-9-4-2-3-5-11-25-14-20(28)22(30)21(29)19(25)15-27;1-15-10-16(26-14-22-13-24-26)6-7-17(15)23-8-4-2-3-5-9-25-11-19(28)21(30)20(29)18(25)12-27;26-14-18-20(28)21(29)19(27)13-24(18)11-4-2-1-3-9-23-16-5-7-17(8-6-16)25-12-10-22-15-25;1-14-10-15(26-13-22-23-24-26)6-7-16(14)21-8-4-2-3-5-9-25-11-18(28)20(30)19(29)17(25)12-27;26-12-17-19(28)20(29)18(27)11-24(17)10-4-2-1-3-9-21-15-5-7-16(8-6-15)25-13-22-23-14-25/h6-8,10,12-13,19-23,27-30H,2-5,9,11,14-15H2,1H3;6-7,10,13-14,18-21,23,27-30H,2-5,8-9,11-12H2,1H3;5-8,10,12,15,18-21,23,26-29H,1-4,9,11,13-14H2;6-7,10,13,17-21,27-30H,2-5,8-9,11-12H2,1H3;5-8,13-14,17-21,26-29H,1-4,9-12H2/t19-,20+,21-,22-;2*18-,19+,20-,21-;2*17-,18+,19-,20-/m11111/s1
• InChIKey: LCUNMMDPVFHWLW-TUUTWSCKSA-N
• XLogP: 1.52
• TPSA: 621.61 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 44
• Rotatable Bonds: 50
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.59
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	44

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-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol?

The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol (CID 159313163) is (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol.

What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol?

The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol is Cc1cc(-n2cccn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cc1cc(-n2cncn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.Cc1cc(-n2cnnn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc1ccc(-n2ccnc2)cc1.OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc1ccc(-n2cnnc2)cc1.

What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol?

The InChIKey is LCUNMMDPVFHWLW-TUUTWSCKSA-N. The full InChI is InChI=1S/C22H34N4O4.C21H33N5O4.C21H32N4O4.C20H32N6O4.C20H31N5O4/c1-16-13-17(26-12-6-10-24-26)7-8-18(16)23-9-4-2-3-5-11-25-14-20(28)22(30)21(29)19(25)15-27;1-15-10-16(26-14-22-13-24-26)6-7-17(15)23-8-4-2-3-5-9-25-11-19(28)21(30)20(29)18(25)12-27;26-14-18-20(28)21(29)19(27)13-24(18)11-4-2-1-3-9-23-16-5-7-17(8-6-16)25-12-10-22-15-25;1-14-10-15(26-13-22-23-24-26)6-7-16(14)21-8-4-2-3-5-9-25-11-18(28)20(30)19(29)17(25)12-27;26-12-17-19(28)20(29)18(27)11-24(17)10-4-2-1-3-9-21-15-5-7-16(8-6-15)25-13-22-23-14-25/h6-8,10,12-13,19-23,27-30H,2-5,9,11,14-15H2,1H3;6-7,10,13-14,18-21,23,27-30H,2-5,8-9,11-12H2,1H3;5-8,10,12,15,18-21,23,26-29H,1-4,9,11,13-14H2;6-7,10,13,17-21,27-30H,2-5,8-9,11-12H2,1H3;5-8,13-14,17-21,26-29H,1-4,9-12H2/t19-,20+,21-,22-;2*18-,19+,20-,21-;2*17-,18+,19-,20-/m11111/s1.

What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol?

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol has a molecular weight of 2068.59 g/mol, XLogP of 1.52, 50 rotatable bonds, 25 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-imidazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-methyl-4-pyrazol-1-ylanilino)hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(tetrazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[2-methyl-4-(1,2,4-triazol-1-yl)anilino]hexyl]piperidine-3,4,5-triol;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[4-(1,2,4-triazol-4-yl)anilino]hexyl]piperidine-3,4,5-triol is sourced from PubChem (CID 159313163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).