1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine

C22H26FN5 — CID 45206938

IUPAC1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine
SMILESCC(Cn1cncn1)NC1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H26FN5/c1-17(14-28-16-24-15-25-28)26-21-9-11-27(12-10-21)22-4-2-3-19(13-22)18-5-7-20(23)8-6-18/h2-8,13,15-17,21,26H,9-12,14H2,1H3
InChIKeyFYSVCWITRAMINT-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.73
Rot. Bonds6

About 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine

1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine (PubChem CID 45206938) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine
PubChem CID45206938
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC Name1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine
SMILESCC(Cn1cncn1)NC1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H26FN5/c1-17(14-28-16-24-15-25-28)26-21-9-11-27(12-10-21)22-4-2-3-19(13-22)18-5-7-20(23)8-6-18/h2-8,13,15-17,21,26H,9-12,14H2,1H3
InChIKeyFYSVCWITRAMINT-UHFFFAOYSA-N
XLogP3.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-[1,2,4]triazol-1-yl-phenyl)-urea
CID 11179351
10-methyl-9-(1,2,4-triazol-1-yl)-9H-acridine
CID 137650681
4-[(7R)-2-(ethylamino)-6-isocyano-5-methyl-4-[3-(trifluoromethyl)phenyl]-7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile
CID 58032614
Phenyl-[4-(phenyl-[1,2,4]triazol-1-yl-methyl)-phenyl]-amine
CID 44569169
4-[5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 2920957
N-[(4-fluorophenyl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline
CID 6482019
4-(m-Fluorophenylamino)-6-(1-pyrrolidinyl)-2-(3,4-xylidino)-1,3,5-triazine
CID 18584667
Phenyl-[4-(1-[1,2,4]triazol-1-yl-ethyl)-phenyl]-amine
CID 44569168
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45814738
N-(3,5-dimethylphenyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
CID 53546921
1-[2-[Butan-2-yl(methyl)amino]ethyl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 72010338
6-N-[(3S)-pyrrolidin-3-yl]-2-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 172443668

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine (CID 45206938) is 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine is CC(Cn1cncn1)NC1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine?
The InChIKey is FYSVCWITRAMINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5/c1-17(14-28-16-24-15-25-28)26-21-9-11-27(12-10-21)22-4-2-3-19(13-22)18-5-7-20(23)8-6-18/h2-8,13,15-17,21,26H,9-12,14H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine?
1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine has a molecular weight of 379.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)phenyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 45206938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).