3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine

C15H18FN3 — CID 79437418

IUPAC3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine
SMILESCn1cncc1C1CCNCC1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-19-10-18-9-15(19)13-6-7-17-8-14(13)11-2-4-12(16)5-3-11/h2-5,9-10,13-14,17H,6-8H2,1H3
InChIKeyOBEQJSYYABNCAV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.42
Rot. Bonds2

About 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine

3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine (PubChem CID 79437418) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine
PubChem CID79437418
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine
SMILESCn1cncc1C1CCNCC1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-19-10-18-9-15(19)13-6-7-17-8-14(13)11-2-4-12(16)5-3-11/h2-5,9-10,13-14,17H,6-8H2,1H3
InChIKeyOBEQJSYYABNCAV-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-4-(3-methylimidazol-4-yl)piperidine
CID 112570860
4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine
CID 79438989
4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine
CID 79311440
3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103
4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine
CID 79442195
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
4-(2-chlorophenyl)-3-(4-fluorophenyl)piperidine
CID 79435303
3-[3-(4-methylphenyl)piperidin-4-yl]pyridine
CID 79441307
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
CID 114867305
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
3-(4-fluorophenyl)piperidine-4-carbonitrile
CID 117167987

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine?
The IUPAC name of 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine (CID 79437418) is 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine?
The canonical SMILES for 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine is Cn1cncc1C1CCNCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine?
The InChIKey is OBEQJSYYABNCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-10-18-9-15(19)13-6-7-17-8-14(13)11-2-4-12(16)5-3-11/h2-5,9-10,13-14,17H,6-8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine?
3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine has a molecular weight of 259.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(3-methylimidazol-4-yl)piperidine is sourced from PubChem (CID 79437418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).