(2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

C21H37N3O3 — CID 97273502

About (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol

(2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (PubChem CID 97273502) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
• PubChem CID: 97273502
• Molecular Formula: C21H37N3O3
• Molecular Weight: 379.55 g/mol
• Exact Mass: 379.28
• IUPAC Name: (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
• SMILES: CCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c2)CC1
• InChI: InChI=1S/C21H37N3O3/c1-6-23-9-11-24(12-10-23)14-18-7-8-20(26-5)21(13-18)27-16-19(25)15-22(4)17(2)3/h7-8,13,17,19,25H,6,9-12,14-16H2,1-5H3/t19-/m1/s1
• InChIKey: GCIAOFIAOPSEJD-LJQANCHMSA-N
• XLogP: 1.91
• TPSA: 48.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.55
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The IUPAC name of (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol (CID 97273502) is (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol.

What is the SMILES notation for (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The canonical SMILES for (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is CCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c2)CC1.

What is the InChIKey of (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

The InChIKey is GCIAOFIAOPSEJD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-6-23-9-11-24(12-10-23)14-18-7-8-20(26-5)21(13-18)27-16-19(25)15-22(4)17(2)3/h7-8,13,17,19,25H,6,9-12,14-16H2,1-5H3/t19-/m1/s1.

What are the key properties of (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol?

(2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 379.55 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 97273502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).