4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine

C11H18FN3 — CID 135161803

IUPAC4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine
SMILESCN1CCC(c2nc(CF)cn2C)CC1
InChIInChI=1S/C11H18FN3/c1-14-5-3-9(4-6-14)11-13-10(7-12)8-15(11)2/h8-9H,3-7H2,1-2H3
InChIKeyWQQXNLAMFPKABT-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.70
Rot. Bonds2

About 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine

4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine (PubChem CID 135161803) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine
PubChem CID135161803
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine
SMILESCN1CCC(c2nc(CF)cn2C)CC1
InChIInChI=1S/C11H18FN3/c1-14-5-3-9(4-6-14)11-13-10(7-12)8-15(11)2/h8-9H,3-7H2,1-2H3
InChIKeyWQQXNLAMFPKABT-UHFFFAOYSA-N
XLogP1.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid
CID 22077402
4-[4-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine;4-[5-(3-fluorophenyl)-1-methylimidazol-2-yl]-1-methylpiperidine
CID 158140617
2-cyclohexyl-1-methylimidazol-4-amine
CID 82377975
4-(1-cyclopropyltetrazol-5-yl)-1-methylpiperidine
CID 118303256
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
6-methyl-3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138815
tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 68570559
1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-amine
CID 117247543
4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
CID 123944716
N-methyl-2-[2-(1-methylpiperidin-4-yl)imidazol-1-yl]ethanamine
CID 135170249
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
CID 116895150

Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine (CID 135161803) is 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine is CN1CCC(c2nc(CF)cn2C)CC1.
What is the InChIKey of 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
The InChIKey is WQQXNLAMFPKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-14-5-3-9(4-6-14)11-13-10(7-12)8-15(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine?
4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine has a molecular weight of 211.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine is sourced from PubChem (CID 135161803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).