3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine

C11H18FN3 — CID 112563016

IUPAC3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
SMILESCCn1ccnc1CC1(F)CCCNC1
InChIInChI=1S/C11H18FN3/c1-2-15-7-6-14-10(15)8-11(12)4-3-5-13-9-11/h6-7,13H,2-5,8-9H2,1H3
InChIKeyVSOJGJNCRGYDJI-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.54
Rot. Bonds3

About 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine

3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine (PubChem CID 112563016) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
PubChem CID112563016
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
SMILESCCn1ccnc1CC1(F)CCCNC1
InChIInChI=1S/C11H18FN3/c1-2-15-7-6-14-10(15)8-11(12)4-3-5-13-9-11/h6-7,13H,2-5,8-9H2,1H3
InChIKeyVSOJGJNCRGYDJI-UHFFFAOYSA-N
XLogP1.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole
CID 126847949
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292
2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
[2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268880

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine (CID 112563016) is 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine is CCn1ccnc1CC1(F)CCCNC1.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine?
The InChIKey is VSOJGJNCRGYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-2-15-7-6-14-10(15)8-11(12)4-3-5-13-9-11/h6-7,13H,2-5,8-9H2,1H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine?
3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine has a molecular weight of 211.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 112563016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).