4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine

C16H20FN3 — CID 114717839

IUPAC4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2Cc2cccc(F)c2)CCNCC1
InChIInChI=1S/C16H20FN3/c1-16(5-7-18-8-6-16)15-10-19-12-20(15)11-13-3-2-4-14(17)9-13/h2-4,9-10,12,18H,5-8,11H2,1H3
InChIKeyCRJOFBBBPYHAMS-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.71
Rot. Bonds3

About 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine

4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine (PubChem CID 114717839) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine
PubChem CID114717839
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2Cc2cccc(F)c2)CCNCC1
InChIInChI=1S/C16H20FN3/c1-16(5-7-18-8-6-16)15-10-19-12-20(15)11-13-3-2-4-14(17)9-13/h2-4,9-10,12,18H,5-8,11H2,1H3
InChIKeyCRJOFBBBPYHAMS-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine (CID 114717839) is 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine is CC1(c2cncn2Cc2cccc(F)c2)CCNCC1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine?
The InChIKey is CRJOFBBBPYHAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-16(5-7-18-8-6-16)15-10-19-12-20(15)11-13-3-2-4-14(17)9-13/h2-4,9-10,12,18H,5-8,11H2,1H3.
What are the key properties of 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine?
4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine has a molecular weight of 273.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114717839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).