2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol

C25H36N4O3 — CID 74558489

About 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 74558489) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 74558489
• Molecular Formula: C25H36N4O3
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.28
• IUPAC Name: 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol
• SMILES: COc1cc(CN2CCN(CC3CNNC3c3ccccc3)CC2CCO)cc(OC)c1
• InChI: InChI=1S/C25H36N4O3/c1-31-23-12-19(13-24(14-23)32-2)16-29-10-9-28(18-22(29)8-11-30)17-21-15-26-27-25(21)20-6-4-3-5-7-20/h3-7,12-14,21-22,25-27,30H,8-11,15-18H2,1-2H3
• InChIKey: BLCCGQZYBLPSFT-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 69.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol (CID 74558489) is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol is COc1cc(CN2CCN(CC3CNNC3c3ccccc3)CC2CCO)cc(OC)c1.

What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is BLCCGQZYBLPSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-31-23-12-19(13-24(14-23)32-2)16-29-10-9-28(18-22(29)8-11-30)17-21-15-26-27-25(21)20-6-4-3-5-7-20/h3-7,12-14,21-22,25-27,30H,8-11,15-18H2,1-2H3.

What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol?

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 440.59 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 74558489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).