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

C13H15FN4 — CID 173210214

IUPAC1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine
SMILESFc1ccc(-c2ncn(N3CCCCC3)n2)cc1
InChIInChI=1S/C13H15FN4/c14-12-6-4-11(5-7-12)13-15-10-18(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyWBVPEQNDRHCTRU-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.21
Rot. Bonds2

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

1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine (PubChem CID 173210214) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine
PubChem CID173210214
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine
SMILESFc1ccc(-c2ncn(N3CCCCC3)n2)cc1
InChIInChI=1S/C13H15FN4/c14-12-6-4-11(5-7-12)13-15-10-18(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyWBVPEQNDRHCTRU-UHFFFAOYSA-N
XLogP2.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106
[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl-methylsilane
CID 151965037
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 62901333
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
5-chloro-2-(4-fluorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
CID 118723363
5-(4-fluorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494365
5-(4-fluorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-oxazole-4-carboxamide
CID 51494366

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine (CID 173210214) is 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine is Fc1ccc(-c2ncn(N3CCCCC3)n2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine?
The InChIKey is WBVPEQNDRHCTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-12-6-4-11(5-7-12)13-15-10-18(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2.
What are the key properties of 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine?
1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine has a molecular weight of 246.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidine is sourced from PubChem (CID 173210214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).