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

C10H16FN3 — CID 84774522

IUPAC3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
SMILESFCc1cnc(CC2CCCNC2)[nH]1
InChIInChI=1S/C10H16FN3/c11-5-9-7-13-10(14-9)4-8-2-1-3-12-6-8/h7-8,12H,1-6H2,(H,13,14)
InChIKeyPBTNWACEBKCKLM-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.42
Rot. Bonds3

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

3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine (PubChem CID 84774522) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
PubChem CID84774522
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine
SMILESFCc1cnc(CC2CCCNC2)[nH]1
InChIInChI=1S/C10H16FN3/c11-5-9-7-13-10(14-9)4-8-2-1-3-12-6-8/h7-8,12H,1-6H2,(H,13,14)
InChIKeyPBTNWACEBKCKLM-UHFFFAOYSA-N
XLogP1.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Immepip
CID 3035842
Methimepip
CID 11313837
4-(1H-imidazol-4-yl)piperidine
CID 10678418
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine
CID 44406484
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
4-[2-(1H-Imidazol-4-yl)ethyl]piperidine
CID 10176370
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
CID 11210869
3-((1H-Imidazol-4-yl)methyl)piperidine
CID 16078981
N-Cyclohexylmethyl-N''-[3-(1H-imidazol-4-yl)-propyl]-guanidine
CID 10332982
Immepip dihydrobromide
CID 22315065
3-[3-(1H-imidazol-5-yl)propyl]piperidine
CID 11159854

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine?
The IUPAC name of 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine (CID 84774522) is 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine?
The canonical SMILES for 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine is FCc1cnc(CC2CCCNC2)[nH]1.
What is the InChIKey of 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine?
The InChIKey is PBTNWACEBKCKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c11-5-9-7-13-10(14-9)4-8-2-1-3-12-6-8/h7-8,12H,1-6H2,(H,13,14).
What are the key properties of 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine?
3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(fluoromethyl)-1H-imidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 84774522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).