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

C10H16FN3 — CID 84774519

IUPAC3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
SMILESCc1[nH]c(C2CCCNC2)nc1CF
InChIInChI=1S/C10H16FN3/c1-7-9(5-11)14-10(13-7)8-3-2-4-12-6-8/h8,12H,2-6H2,1H3,(H,13,14)
InChIKeyBZVWGYGIZQTQCJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.65
Rot. Bonds2

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

3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine (PubChem CID 84774519) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
PubChem CID84774519
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
SMILESCc1[nH]c(C2CCCNC2)nc1CF
InChIInChI=1S/C10H16FN3/c1-7-9(5-11)14-10(13-7)8-3-2-4-12-6-8/h8,12H,2-6H2,1H3,(H,13,14)
InChIKeyBZVWGYGIZQTQCJ-UHFFFAOYSA-N
XLogP1.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
The IUPAC name of 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine (CID 84774519) is 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine is Cc1[nH]c(C2CCCNC2)nc1CF.
What is the InChIKey of 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
The InChIKey is BZVWGYGIZQTQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-7-9(5-11)14-10(13-7)8-3-2-4-12-6-8/h8,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine?
3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 84774519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).