2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol

C23H26N4O — CID 135971348

IUPAC2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol
SMILESOc1ccc(-c2cnccn2)cc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23-7-6-19(22-16-24-10-11-25-22)14-20(23)15-26-21-8-12-27(13-9-21)17-18-4-2-1-3-5-18/h1-7,10-11,14,16,21,26,28H,8-9,12-13,15,17H2
InChIKeyWHUQDBVVEATUQF-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.60
Rot. Bonds6

About 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol

2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol (PubChem CID 135971348) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol.

Molecular Properties

Compound Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol
PubChem CID135971348
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol
SMILESOc1ccc(-c2cnccn2)cc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23-7-6-19(22-16-24-10-11-25-22)14-20(23)15-26-21-8-12-27(13-9-21)17-18-4-2-1-3-5-18/h1-7,10-11,14,16,21,26,28H,8-9,12-13,15,17H2
InChIKeyWHUQDBVVEATUQF-UHFFFAOYSA-N
XLogP3.60
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol?
The IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol (CID 135971348) is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol.
What is the SMILES notation for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol?
The canonical SMILES for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol is Oc1ccc(-c2cnccn2)cc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol?
The InChIKey is WHUQDBVVEATUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23-7-6-19(22-16-24-10-11-25-22)14-20(23)15-26-21-8-12-27(13-9-21)17-18-4-2-1-3-5-18/h1-7,10-11,14,16,21,26,28H,8-9,12-13,15,17H2.
What are the key properties of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol?
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol has a molecular weight of 374.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyrazin-2-ylphenol is sourced from PubChem (CID 135971348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).