3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine

C13H22FN3 — CID 112565336

IUPAC3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
SMILESCCCn1ccnc1CC(F)C1CCCNC1
InChIInChI=1S/C13H22FN3/c1-2-7-17-8-6-16-13(17)9-12(14)11-4-3-5-15-10-11/h6,8,11-12,15H,2-5,7,9-10H2,1H3
InChIKeyVCEQYHLRVVZKFU-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.17
Rot. Bonds5

About 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine

3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine (PubChem CID 112565336) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
PubChem CID112565336
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
SMILESCCCn1ccnc1CC(F)C1CCCNC1
InChIInChI=1S/C13H22FN3/c1-2-7-17-8-6-16-13(17)9-12(14)11-4-3-5-15-10-11/h6,8,11-12,15H,2-5,7,9-10H2,1H3
InChIKeyVCEQYHLRVVZKFU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 106635030
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
1-(2-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189999
3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553

Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine (CID 112565336) is 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine is CCCn1ccnc1CC(F)C1CCCNC1.
What is the InChIKey of 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
The InChIKey is VCEQYHLRVVZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-2-7-17-8-6-16-13(17)9-12(14)11-4-3-5-15-10-11/h6,8,11-12,15H,2-5,7,9-10H2,1H3.
What are the key properties of 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine?
3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine has a molecular weight of 239.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine is sourced from PubChem (CID 112565336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).