4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine

C13H17FN4 — CID 143927192

IUPAC4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine
SMILESFc1cccc(C2=NC(C3CCNCC3)NN2)c1
InChIInChI=1S/C13H17FN4/c14-11-3-1-2-10(8-11)13-16-12(17-18-13)9-4-6-15-7-5-9/h1-3,8-9,12,15,17H,4-7H2,(H,16,18)
InChIKeyQOZAGAATYCMDSJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.01
Rot. Bonds2

About 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine

4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 143927192) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID143927192
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine
SMILESFc1cccc(C2=NC(C3CCNCC3)NN2)c1
InChIInChI=1S/C13H17FN4/c14-11-3-1-2-10(8-11)13-16-12(17-18-13)9-4-6-15-7-5-9/h1-3,8-9,12,15,17H,4-7H2,(H,16,18)
InChIKeyQOZAGAATYCMDSJ-UHFFFAOYSA-N
XLogP1.01
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine (CID 143927192) is 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine is Fc1cccc(C2=NC(C3CCNCC3)NN2)c1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is QOZAGAATYCMDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c14-11-3-1-2-10(8-11)13-16-12(17-18-13)9-4-6-15-7-5-9/h1-3,8-9,12,15,17H,4-7H2,(H,16,18).
What are the key properties of 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine?
4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 248.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 143927192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).