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

C11H18FN3 — CID 84781847

IUPAC4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
SMILESCc1[nH]c(CC2CCNCC2)nc1CF
InChIInChI=1S/C11H18FN3/c1-8-10(7-12)15-11(14-8)6-9-2-4-13-5-3-9/h9,13H,2-7H2,1H3,(H,14,15)
InChIKeyQPSHZMBJYFZKNT-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.73
Rot. Bonds3

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

4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 84781847) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
PubChem CID84781847
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
SMILESCc1[nH]c(CC2CCNCC2)nc1CF
InChIInChI=1S/C11H18FN3/c1-8-10(7-12)15-11(14-8)6-9-2-4-13-5-3-9/h9,13H,2-7H2,1H3,(H,14,15)
InChIKeyQPSHZMBJYFZKNT-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine (CID 84781847) is 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine is Cc1[nH]c(CC2CCNCC2)nc1CF.
What is the InChIKey of 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is QPSHZMBJYFZKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-8-10(7-12)15-11(14-8)6-9-2-4-13-5-3-9/h9,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine?
4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 84781847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).