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

C21H22FN3 — CID 42479344

IUPAC1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H22FN3/c22-19-8-4-7-18(13-19)20-14-23-24-21(20)17-9-11-25(12-10-17)15-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,23,24)
InChIKeyVGYOLLSGSHOXGB-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.60
Rot. Bonds4

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

1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 42479344) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID42479344
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H22FN3/c22-19-8-4-7-18(13-19)20-14-23-24-21(20)17-9-11-25(12-10-17)15-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,23,24)
InChIKeyVGYOLLSGSHOXGB-UHFFFAOYSA-N
XLogP4.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 42479344) is 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1cccc(-c2cn[nH]c2C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is VGYOLLSGSHOXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-19-8-4-7-18(13-19)20-14-23-24-21(20)17-9-11-25(12-10-17)15-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,23,24).
What are the key properties of 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 335.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 42479344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).