3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine

C10H15F2N3 — CID 84783915

IUPAC3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
SMILESCc1[nH]c(C2CCCNC2)nc1C(F)F
InChIInChI=1S/C10H15F2N3/c1-6-8(9(11)12)15-10(14-6)7-3-2-4-13-5-7/h7,9,13H,2-5H2,1H3,(H,14,15)
InChIKeyVJPITBYBXCYADZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.12
Rot. Bonds2

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

3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine (PubChem CID 84783915) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
PubChem CID84783915
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
SMILESCc1[nH]c(C2CCCNC2)nc1C(F)F
InChIInChI=1S/C10H15F2N3/c1-6-8(9(11)12)15-10(14-6)7-3-2-4-13-5-7/h7,9,13H,2-5H2,1H3,(H,14,15)
InChIKeyVJPITBYBXCYADZ-UHFFFAOYSA-N
XLogP2.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
The IUPAC name of 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine (CID 84783915) is 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine is Cc1[nH]c(C2CCCNC2)nc1C(F)F.
What is the InChIKey of 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
The InChIKey is VJPITBYBXCYADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-6-8(9(11)12)15-10(14-6)7-3-2-4-13-5-7/h7,9,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine has a molecular weight of 215.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 84783915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).