3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine

C14H15F2N3 — CID 114703474

IUPAC3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
SMILESFc1ccc(-n2cncc2C2CCCNC2)cc1F
InChIInChI=1S/C14H15F2N3/c15-12-4-3-11(6-13(12)16)19-9-18-8-14(19)10-2-1-5-17-7-10/h3-4,6,8-10,17H,1-2,5,7H2
InChIKeyYKZDWHQGDKNPIN-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.62
Rot. Bonds2

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

3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine (PubChem CID 114703474) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
PubChem CID114703474
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
SMILESFc1ccc(-n2cncc2C2CCCNC2)cc1F
InChIInChI=1S/C14H15F2N3/c15-12-4-3-11(6-13(12)16)19-9-18-8-14(19)10-2-1-5-17-7-10/h3-4,6,8-10,17H,1-2,5,7H2
InChIKeyYKZDWHQGDKNPIN-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
CID 107795823

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine (CID 114703474) is 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine is Fc1ccc(-n2cncc2C2CCCNC2)cc1F.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine?
The InChIKey is YKZDWHQGDKNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-12-4-3-11(6-13(12)16)19-9-18-8-14(19)10-2-1-5-17-7-10/h3-4,6,8-10,17H,1-2,5,7H2.
What are the key properties of 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine?
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine has a molecular weight of 263.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114703474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).