1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine

C22H25N3 — CID 10687967

IUPAC1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine
SMILESc1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1
InChIInChI=1S/C22H25N3/c1-3-7-18(8-4-1)15-21-16-22(24-23-21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24)
InChIKeyQAPWGFAFNBTWSU-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.38
Rot. Bonds5

About 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine

1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine (PubChem CID 10687967) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine
PubChem CID10687967
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine
SMILESc1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1
InChIInChI=1S/C22H25N3/c1-3-7-18(8-4-1)15-21-16-22(24-23-21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24)
InChIKeyQAPWGFAFNBTWSU-UHFFFAOYSA-N
XLogP4.38
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine (CID 10687967) is 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine is c1ccc(Cc2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1.
What is the InChIKey of 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is QAPWGFAFNBTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-3-7-18(8-4-1)15-21-16-22(24-23-21)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24).
What are the key properties of 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine?
1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 331.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-benzyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 10687967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).