4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine

C11H18FN3 — CID 84781853

IUPAC4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)(F)c1cnc(C2CCNCC2)[nH]1
InChIInChI=1S/C11H18FN3/c1-11(2,12)9-7-14-10(15-9)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFVOFPVMHGPSGOI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.08
Rot. Bonds2

About 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine

4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine (PubChem CID 84781853) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine
PubChem CID84781853
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)(F)c1cnc(C2CCNCC2)[nH]1
InChIInChI=1S/C11H18FN3/c1-11(2,12)9-7-14-10(15-9)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyFVOFPVMHGPSGOI-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
1-ethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 167890054
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
4-(5-tert-butyl-1H-imidazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 168724950
2-(azepan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686967
4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 90169763
5-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
CID 84795516
4-[5-(oxolan-2-yl)-1H-imidazol-2-yl]piperidine
CID 115032869

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine (CID 84781853) is 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine is CC(C)(F)c1cnc(C2CCNCC2)[nH]1.
What is the InChIKey of 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine?
The InChIKey is FVOFPVMHGPSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(2,12)9-7-14-10(15-9)8-3-5-13-6-4-8/h7-8,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine?
4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine has a molecular weight of 211.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 84781853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).