4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine

C21H22FN3 — CID 67691465

IUPAC4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine
SMILESFc1cccc(-c2ncc(CC3(c4ccccc4)CCNCC3)[nH]2)c1
InChIInChI=1S/C21H22FN3/c22-18-8-4-5-16(13-18)20-24-15-19(25-20)14-21(9-11-23-12-10-21)17-6-2-1-3-7-17/h1-8,13,15,23H,9-12,14H2,(H,24,25)
InChIKeyAKENRPOIWUYKJQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.08
Rot. Bonds4

About 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine

4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine (PubChem CID 67691465) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine
PubChem CID67691465
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine
SMILESFc1cccc(-c2ncc(CC3(c4ccccc4)CCNCC3)[nH]2)c1
InChIInChI=1S/C21H22FN3/c22-18-8-4-5-16(13-18)20-24-15-19(25-20)14-21(9-11-23-12-10-21)17-6-2-1-3-7-17/h1-8,13,15,23H,9-12,14H2,(H,24,25)
InChIKeyAKENRPOIWUYKJQ-UHFFFAOYSA-N
XLogP4.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine?
The IUPAC name of 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine (CID 67691465) is 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine is Fc1cccc(-c2ncc(CC3(c4ccccc4)CCNCC3)[nH]2)c1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine?
The InChIKey is AKENRPOIWUYKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-18-8-4-5-16(13-18)20-24-15-19(25-20)14-21(9-11-23-12-10-21)17-6-2-1-3-7-17/h1-8,13,15,23H,9-12,14H2,(H,24,25).
What are the key properties of 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine?
4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine has a molecular weight of 335.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-4-phenylpiperidine is sourced from PubChem (CID 67691465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).