4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine

C14H16FN3 — CID 58270802

IUPAC4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine
SMILESFc1cccc(C2=NCC(C3CCNCC3)=N2)c1
InChIInChI=1S/C14H16FN3/c15-12-3-1-2-11(8-12)14-17-9-13(18-14)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7,9H2
InChIKeyJAYUCBMITSGIDI-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.03
Rot. Bonds2

About 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine

4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine (PubChem CID 58270802) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine
PubChem CID58270802
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine
SMILESFc1cccc(C2=NCC(C3CCNCC3)=N2)c1
InChIInChI=1S/C14H16FN3/c15-12-3-1-2-11(8-12)14-17-9-13(18-14)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7,9H2
InChIKeyJAYUCBMITSGIDI-UHFFFAOYSA-N
XLogP2.03
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine?
The IUPAC name of 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine (CID 58270802) is 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine?
The canonical SMILES for 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine is Fc1cccc(C2=NCC(C3CCNCC3)=N2)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine?
The InChIKey is JAYUCBMITSGIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-3-1-2-11(8-12)14-17-9-13(18-14)10-4-6-16-7-5-10/h1-3,8,10,16H,4-7,9H2.
What are the key properties of 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine?
4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine has a molecular weight of 245.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine is sourced from PubChem (CID 58270802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).