(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol

C28H50N4O4+4 — CID 7232193

About (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol

(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol (PubChem CID 7232193) has the molecular formula C28H50N4O4+4 and a molecular weight of 506.73 g/mol. Its IUPAC name is (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol
• PubChem CID: 7232193
• Molecular Formula: C28H50N4O4+4
• Molecular Weight: 506.73 g/mol
• Exact Mass: 506.38
• IUPAC Name: (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol
• SMILES: C=C(C)C[NH+]1CC[NH+](C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CC[NH+](CC(=C)C)CC3)cc2)CC1
• InChI: InChI=1S/C28H46N4O4/c1-23(2)17-29-9-13-31(14-10-29)19-25(33)21-35-27-5-7-28(8-6-27)36-22-26(34)20-32-15-11-30(12-16-32)18-24(3)4/h5-8,25-26,33-34H,1,3,9-22H2,2,4H3/p+4/t25-,26-/m1/s1
• InChIKey: IBLYJNZFTQOXCS-CLJLJLNGSA-R
• XLogP: -4.11
• TPSA: 76.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.73
LogP ≤ 5	-4.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol?

The IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol (CID 7232193) is (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol is C=C(C)C[NH+]1CC[NH+](C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CC[NH+](CC(=C)C)CC3)cc2)CC1.

What is the InChIKey of (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol?

The InChIKey is IBLYJNZFTQOXCS-CLJLJLNGSA-R. The full InChI is InChI=1S/C28H46N4O4/c1-23(2)17-29-9-13-31(14-10-29)19-25(33)21-35-27-5-7-28(8-6-27)36-22-26(34)20-32-15-11-30(12-16-32)18-24(3)4/h5-8,25-26,33-34H,1,3,9-22H2,2,4H3/p+4/t25-,26-/m1/s1.

What are the key properties of (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol?

(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol has a molecular weight of 506.73 g/mol, XLogP of -4.11, 14 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol is sourced from PubChem (CID 7232193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).