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

C11H17F2N3 — CID 84792723

IUPAC4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
SMILESCc1[nH]c(CC2CCNCC2)nc1C(F)F
InChIInChI=1S/C11H17F2N3/c1-7-10(11(12)13)16-9(15-7)6-8-2-4-14-5-3-8/h8,11,14H,2-6H2,1H3,(H,15,16)
InChIKeyZEYWTKNYLOFXCJ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.20
Rot. Bonds3

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

4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 84792723) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
PubChem CID84792723
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
SMILESCc1[nH]c(CC2CCNCC2)nc1C(F)F
InChIInChI=1S/C11H17F2N3/c1-7-10(11(12)13)16-9(15-7)6-8-2-4-14-5-3-8/h8,11,14H,2-6H2,1H3,(H,15,16)
InChIKeyZEYWTKNYLOFXCJ-UHFFFAOYSA-N
XLogP2.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine (CID 84792723) is 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine is Cc1[nH]c(CC2CCNCC2)nc1C(F)F.
What is the InChIKey of 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is ZEYWTKNYLOFXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-7-10(11(12)13)16-9(15-7)6-8-2-4-14-5-3-8/h8,11,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 229.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 84792723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).