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

C21H23N3 — CID 10615437

IUPAC1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc(CN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-17(8-4-1)16-24-13-11-19(12-14-24)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,22,23)
InChIKeyCEFKCGBMUZVVLI-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.46
Rot. Bonds4

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

1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine (PubChem CID 10615437) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine
PubChem CID10615437
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc(CN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-17(8-4-1)16-24-13-11-19(12-14-24)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,22,23)
InChIKeyCEFKCGBMUZVVLI-UHFFFAOYSA-N
XLogP4.46
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine (CID 10615437) is 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine is c1ccc(CN2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is CEFKCGBMUZVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-7-17(8-4-1)16-24-13-11-19(12-14-24)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,22,23).
What are the key properties of 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 317.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 10615437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).