4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride

C22H26Cl2FN3 — CID 67691494

IUPAC4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(CC2(Cc3cnc(-c4ccccc4)[nH]3)CCNCC2)cc1
InChIInChI=1S/C22H24FN3.2ClH/c23-19-8-6-17(7-9-19)14-22(10-12-24-13-11-22)15-20-16-25-21(26-20)18-4-2-1-3-5-18;;/h1-9,16,24H,10-15H2,(H,25,26);2*1H
InChIKeyPMRCDGHXDRIRSF-UHFFFAOYSA-N
MW422.38 g/mol
LogP5.21
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride

4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride (PubChem CID 67691494) has the molecular formula C22H26Cl2FN3 and a molecular weight of 422.38 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride
PubChem CID67691494
Molecular FormulaC22H26Cl2FN3
Molecular Weight422.38 g/mol
Exact Mass421.15
IUPAC Name4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(CC2(Cc3cnc(-c4ccccc4)[nH]3)CCNCC2)cc1
InChIInChI=1S/C22H24FN3.2ClH/c23-19-8-6-17(7-9-19)14-22(10-12-24-13-11-22)15-20-16-25-21(26-20)18-4-2-1-3-5-18;;/h1-9,16,24H,10-15H2,(H,25,26);2*1H
InChIKeyPMRCDGHXDRIRSF-UHFFFAOYSA-N
XLogP5.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.38
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride (CID 67691494) is 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride is Cl.Cl.Fc1ccc(CC2(Cc3cnc(-c4ccccc4)[nH]3)CCNCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride?
The InChIKey is PMRCDGHXDRIRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3.2ClH/c23-19-8-6-17(7-9-19)14-22(10-12-24-13-11-22)15-20-16-25-21(26-20)18-4-2-1-3-5-18;;/h1-9,16,24H,10-15H2,(H,25,26);2*1H.
What are the key properties of 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride?
4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride has a molecular weight of 422.38 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine;dihydrochloride is sourced from PubChem (CID 67691494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).