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

C15H17Cl2F4N3 — CID 71742558

IUPAC4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C15H15F4N3.2ClH/c16-12-2-1-10(7-11(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);2*1H
InChIKeyCWUBMUWAQUBEFO-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.55
Rot. Bonds2

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

4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride (PubChem CID 71742558) has the molecular formula C15H17Cl2F4N3 and a molecular weight of 386.22 g/mol. Its IUPAC name is 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
PubChem CID71742558
Molecular FormulaC15H17Cl2F4N3
Molecular Weight386.22 g/mol
Exact Mass385.07
IUPAC Name4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1C(F)(F)F
InChIInChI=1S/C15H15F4N3.2ClH/c16-12-2-1-10(7-11(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);2*1H
InChIKeyCWUBMUWAQUBEFO-UHFFFAOYSA-N
XLogP4.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
The IUPAC name of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride (CID 71742558) is 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
The canonical SMILES for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride is Cl.Cl.Fc1ccc(-c2cnc(C3CCNCC3)[nH]2)cc1C(F)(F)F.
What is the InChIKey of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
The InChIKey is CWUBMUWAQUBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3.2ClH/c16-12-2-1-10(7-11(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);2*1H.
What are the key properties of 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride?
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride has a molecular weight of 386.22 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride is sourced from PubChem (CID 71742558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).