4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine

C12H20FN3 — CID 167880569

IUPAC4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine
SMILESCc1ncn(CC(F)C2CCNCC2)c1C
InChIInChI=1S/C12H20FN3/c1-9-10(2)16(8-15-9)7-12(13)11-3-5-14-6-4-11/h8,11-12,14H,3-7H2,1-2H3
InChIKeyDKMUDWSNJBUSHC-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.84
Rot. Bonds3

About 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine

4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine (PubChem CID 167880569) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine
PubChem CID167880569
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine
SMILESCc1ncn(CC(F)C2CCNCC2)c1C
InChIInChI=1S/C12H20FN3/c1-9-10(2)16(8-15-9)7-12(13)11-3-5-14-6-4-11/h8,11-12,14H,3-7H2,1-2H3
InChIKeyDKMUDWSNJBUSHC-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine (CID 167880569) is 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine is Cc1ncn(CC(F)C2CCNCC2)c1C.
What is the InChIKey of 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine?
The InChIKey is DKMUDWSNJBUSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-9-10(2)16(8-15-9)7-12(13)11-3-5-14-6-4-11/h8,11-12,14H,3-7H2,1-2H3.
What are the key properties of 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine?
4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethylimidazol-1-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 167880569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).