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

C15H15F4N3 — CID 66649801

IUPAC4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
SMILESFc1cc(-c2cnc(C3CCNCC3)[nH]2)ccc1C(F)(F)F
InChIInChI=1S/C15H15F4N3/c16-12-7-10(1-2-11(12)15(17,18)19)13-8-21-14(22-13)9-3-5-20-6-4-9/h1-2,7-9,20H,3-6H2,(H,21,22)
InChIKeyTXJZLKOEJPHSNJ-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.70
Rot. Bonds2

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

4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine (PubChem CID 66649801) has the molecular formula C15H15F4N3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
PubChem CID66649801
Molecular FormulaC15H15F4N3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
SMILESFc1cc(-c2cnc(C3CCNCC3)[nH]2)ccc1C(F)(F)F
InChIInChI=1S/C15H15F4N3/c16-12-7-10(1-2-11(12)15(17,18)19)13-8-21-14(22-13)9-3-5-20-6-4-9/h1-2,7-9,20H,3-6H2,(H,21,22)
InChIKeyTXJZLKOEJPHSNJ-UHFFFAOYSA-N
XLogP3.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine (CID 66649801) is 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine is Fc1cc(-c2cnc(C3CCNCC3)[nH]2)ccc1C(F)(F)F.
What is the InChIKey of 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine?
The InChIKey is TXJZLKOEJPHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3/c16-12-7-10(1-2-11(12)15(17,18)19)13-8-21-14(22-13)9-3-5-20-6-4-9/h1-2,7-9,20H,3-6H2,(H,21,22).
What are the key properties of 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine?
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine has a molecular weight of 313.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 66649801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).