5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine

C10H16FN3 — CID 130806282

IUPAC5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine
SMILESCC1CCC(F)(c2nccn2C)CN1
InChIInChI=1S/C10H16FN3/c1-8-3-4-10(11,7-13-8)9-12-5-6-14(9)2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyYXZGOWRNRPSRCH-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.36
Rot. Bonds1

About 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine

5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine (PubChem CID 130806282) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine
PubChem CID130806282
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine
SMILESCC1CCC(F)(c2nccn2C)CN1
InChIInChI=1S/C10H16FN3/c1-8-3-4-10(11,7-13-8)9-12-5-6-14(9)2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyYXZGOWRNRPSRCH-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine (CID 130806282) is 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine is CC1CCC(F)(c2nccn2C)CN1.
What is the InChIKey of 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine?
The InChIKey is YXZGOWRNRPSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-8-3-4-10(11,7-13-8)9-12-5-6-14(9)2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine?
5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-5-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 130806282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).