4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine

C22H21F4N3 — CID 53322599

IUPAC4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESFC1CCN(Cc2ccccc2-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C22H21F4N3/c23-18-8-10-29(11-9-18)14-16-4-1-2-7-19(16)21-27-13-20(28-21)15-5-3-6-17(12-15)22(24,25)26/h1-7,12-13,18H,8-11,14H2,(H,27,28)
InChIKeyBWQTUBOCPNZCDY-UHFFFAOYSA-N
MW403.42 g/mol
LogP5.70
Rot. Bonds4

About 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine

4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine (PubChem CID 53322599) has the molecular formula C22H21F4N3 and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
PubChem CID53322599
Molecular FormulaC22H21F4N3
Molecular Weight403.42 g/mol
Exact Mass403.17
IUPAC Name4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESFC1CCN(Cc2ccccc2-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C22H21F4N3/c23-18-8-10-29(11-9-18)14-16-4-1-2-7-19(16)21-27-13-20(28-21)15-5-3-6-17(12-15)22(24,25)26/h1-7,12-13,18H,8-11,14H2,(H,27,28)
InChIKeyBWQTUBOCPNZCDY-UHFFFAOYSA-N
XLogP5.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.42
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The IUPAC name of 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine (CID 53322599) is 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The canonical SMILES for 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine is FC1CCN(Cc2ccccc2-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The InChIKey is BWQTUBOCPNZCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3/c23-18-8-10-29(11-9-18)14-16-4-1-2-7-19(16)21-27-13-20(28-21)15-5-3-6-17(12-15)22(24,25)26/h1-7,12-13,18H,8-11,14H2,(H,27,28).
What are the key properties of 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine?
4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine has a molecular weight of 403.42 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperidine is sourced from PubChem (CID 53322599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).