(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

C24H36N4O3 — CID 28953775

About (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (PubChem CID 28953775) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
• PubChem CID: 28953775
• Molecular Formula: C24H36N4O3
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.28
• IUPAC Name: (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
• SMILES: COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OC[C@H](O)CN(C)C(C)C
• InChI: InChI=1S/C24H36N4O3/c1-19(2)26(3)17-21(29)18-31-23-15-20(8-9-22(23)30-4)16-27-11-13-28(14-12-27)24-7-5-6-10-25-24/h5-10,15,19,21,29H,11-14,16-18H2,1-4H3/t21-/m1/s1
• InChIKey: WWSCOWDDLFNYLR-OAQYLSRUSA-N
• XLogP: 2.49
• TPSA: 61.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The IUPAC name of (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (CID 28953775) is (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The canonical SMILES for (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OC[C@H](O)CN(C)C(C)C.

What is the InChIKey of (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The InChIKey is WWSCOWDDLFNYLR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-19(2)26(3)17-21(29)18-31-23-15-20(8-9-22(23)30-4)16-27-11-13-28(14-12-27)24-7-5-6-10-25-24/h5-10,15,19,21,29H,11-14,16-18H2,1-4H3/t21-/m1/s1.

What are the key properties of (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

(2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 428.58 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-methoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 28953775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).