3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

C23H30N6O2 — CID 132778730

About 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (PubChem CID 132778730) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.

Molecular Properties

• Compound Name: 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
• PubChem CID: 132778730
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
• SMILES: CN(Cc1ccc(OCc2nccn2C)cc1)CC1(O)CCCN(c2cnccn2)C1
• InChI: InChI=1S/C23H30N6O2/c1-27(17-23(30)8-3-12-29(18-23)21-14-24-9-10-25-21)15-19-4-6-20(7-5-19)31-16-22-26-11-13-28(22)2/h4-7,9-11,13-14,30H,3,8,12,15-18H2,1-2H3
• InChIKey: PKISHXGRBJBXDW-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 79.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?

The IUPAC name of 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (CID 132778730) is 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.

What is the SMILES notation for 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?

The canonical SMILES for 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is CN(Cc1ccc(OCc2nccn2C)cc1)CC1(O)CCCN(c2cnccn2)C1.

What is the InChIKey of 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?

The InChIKey is PKISHXGRBJBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-27(17-23(30)8-3-12-29(18-23)21-14-24-9-10-25-21)15-19-4-6-20(7-5-19)31-16-22-26-11-13-28(22)2/h4-7,9-11,13-14,30H,3,8,12,15-18H2,1-2H3.

What are the key properties of 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?

3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol has a molecular weight of 422.53 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is sourced from PubChem (CID 132778730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).