3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine

C15H18FN3O — CID 114702599

IUPAC3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine
SMILESCOc1ccc(-n2cncc2C2CCCNC2)cc1F
InChIInChI=1S/C15H18FN3O/c1-20-15-5-4-12(7-13(15)16)19-10-18-9-14(19)11-3-2-6-17-8-11/h4-5,7,9-11,17H,2-3,6,8H2,1H3
InChIKeyPEQCRMGPIHDKKT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.49
Rot. Bonds3

About 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine

3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine (PubChem CID 114702599) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine
PubChem CID114702599
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine
SMILESCOc1ccc(-n2cncc2C2CCCNC2)cc1F
InChIInChI=1S/C15H18FN3O/c1-20-15-5-4-12(7-13(15)16)19-10-18-9-14(19)11-3-2-6-17-8-11/h4-5,7,9-11,17H,2-3,6,8H2,1H3
InChIKeyPEQCRMGPIHDKKT-UHFFFAOYSA-N
XLogP2.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine (CID 114702599) is 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine is COc1ccc(-n2cncc2C2CCCNC2)cc1F.
What is the InChIKey of 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine?
The InChIKey is PEQCRMGPIHDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-20-15-5-4-12(7-13(15)16)19-10-18-9-14(19)11-3-2-6-17-8-11/h4-5,7,9-11,17H,2-3,6,8H2,1H3.
What are the key properties of 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine?
3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine has a molecular weight of 275.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).