2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine

C14H14F3N3 — CID 114702951

IUPAC2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
SMILESFc1ccc(-n2cncc2C2CCCCN2)c(F)c1F
InChIInChI=1S/C14H14F3N3/c15-9-4-5-11(14(17)13(9)16)20-8-18-7-12(20)10-3-1-2-6-19-10/h4-5,7-8,10,19H,1-3,6H2
InChIKeyMKZAKOZZCGJEFZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.10
Rot. Bonds2

About 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine

2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine (PubChem CID 114702951) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
PubChem CID114702951
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
SMILESFc1ccc(-n2cncc2C2CCCCN2)c(F)c1F
InChIInChI=1S/C14H14F3N3/c15-9-4-5-11(14(17)13(9)16)20-8-18-7-12(20)10-3-1-2-6-19-10/h4-5,7-8,10,19H,1-3,6H2
InChIKeyMKZAKOZZCGJEFZ-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
CID 107641180
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
N,N-dimethyl-2-(5-piperidin-2-ylimidazol-1-yl)aniline
CID 106761198
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
CID 114705681
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine (CID 114702951) is 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine is Fc1ccc(-n2cncc2C2CCCCN2)c(F)c1F.
What is the InChIKey of 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine?
The InChIKey is MKZAKOZZCGJEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-9-4-5-11(14(17)13(9)16)20-8-18-7-12(20)10-3-1-2-6-19-10/h4-5,7-8,10,19H,1-3,6H2.
What are the key properties of 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine?
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine has a molecular weight of 281.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).