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

C16H20FN3 — CID 79438989

IUPAC4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine
SMILESCCn1cncc1C1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H20FN3/c1-2-20-11-19-10-16(20)14-6-7-18-9-15(14)12-4-3-5-13(17)8-12/h3-5,8,10-11,14-15,18H,2,6-7,9H2,1H3
InChIKeyZRALGEVQZZTXQU-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.90
Rot. Bonds3

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

4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine (PubChem CID 79438989) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine
PubChem CID79438989
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine
SMILESCCn1cncc1C1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H20FN3/c1-2-20-11-19-10-16(20)14-6-7-18-9-15(14)12-4-3-5-13(17)8-12/h3-5,8,10-11,14-15,18H,2,6-7,9H2,1H3
InChIKeyZRALGEVQZZTXQU-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine?
The IUPAC name of 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine (CID 79438989) is 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine.
What is the SMILES notation for 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine?
The canonical SMILES for 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine is CCn1cncc1C1CCNCC1c1cccc(F)c1.
What is the InChIKey of 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine?
The InChIKey is ZRALGEVQZZTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-20-11-19-10-16(20)14-6-7-18-9-15(14)12-4-3-5-13(17)8-12/h3-5,8,10-11,14-15,18H,2,6-7,9H2,1H3.
What are the key properties of 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine?
4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine has a molecular weight of 273.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylimidazol-4-yl)-3-(3-fluorophenyl)piperidine is sourced from PubChem (CID 79438989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).