2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine

C13H22FN3 — CID 106635030

IUPAC2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
SMILESCCCn1ccnc1CC(F)C1CCCCN1
InChIInChI=1S/C13H22FN3/c1-2-8-17-9-7-16-13(17)10-11(14)12-5-3-4-6-15-12/h7,9,11-12,15H,2-6,8,10H2,1H3
InChIKeyBOFQDFFFWCBRPF-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.32
Rot. Bonds5

About 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine

2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine (PubChem CID 106635030) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
PubChem CID106635030
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
SMILESCCCn1ccnc1CC(F)C1CCCCN1
InChIInChI=1S/C13H22FN3/c1-2-8-17-9-7-16-13(17)10-11(14)12-5-3-4-6-15-12/h7,9,11-12,15H,2-6,8,10H2,1H3
InChIKeyBOFQDFFFWCBRPF-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 112565336
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
CID 106640178
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-(oxan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821107
1-(2-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189999
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821151
2-(1-fluorobutyl)piperidine
CID 105431346

Frequently Asked Questions

What is the IUPAC name of 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
The IUPAC name of 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine (CID 106635030) is 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine.
What is the SMILES notation for 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
The canonical SMILES for 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine is CCCn1ccnc1CC(F)C1CCCCN1.
What is the InChIKey of 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
The InChIKey is BOFQDFFFWCBRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-2-8-17-9-7-16-13(17)10-11(14)12-5-3-4-6-15-12/h7,9,11-12,15H,2-6,8,10H2,1H3.
What are the key properties of 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine has a molecular weight of 239.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine is sourced from PubChem (CID 106635030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).