1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine

C21H24N4 — CID 163203621

IUPAC1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ccnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)17-24-15-12-19(13-16-24)23-21-11-14-22-25(21)20-9-5-2-6-10-20/h1-11,14,19,23H,12-13,15-17H2
InChIKeyAHUJEORGPACVOA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.95
Rot. Bonds5

About 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine

1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine (PubChem CID 163203621) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine
PubChem CID163203621
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine
SMILESc1ccc(CN2CCC(Nc3ccnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)17-24-15-12-19(13-16-24)23-21-11-14-22-25(21)20-9-5-2-6-10-20/h1-11,14,19,23H,12-13,15-17H2
InChIKeyAHUJEORGPACVOA-UHFFFAOYSA-N
XLogP3.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine (CID 163203621) is 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine is c1ccc(CN2CCC(Nc3ccnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine?
The InChIKey is AHUJEORGPACVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-7-18(8-4-1)17-24-15-12-19(13-16-24)23-21-11-14-22-25(21)20-9-5-2-6-10-20/h1-11,14,19,23H,12-13,15-17H2.
What are the key properties of 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine?
1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-phenylpyrazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 163203621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).