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

C17H23FN4 — CID 86787384

IUPAC1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESCC(CCc1cccc(F)c1)N1CCC(n2cncn2)CC1
InChIInChI=1S/C17H23FN4/c1-14(5-6-15-3-2-4-16(18)11-15)21-9-7-17(8-10-21)22-13-19-12-20-22/h2-4,11-14,17H,5-10H2,1H3
InChIKeyFLBRYBWRULXFPQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.08
Rot. Bonds5

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

1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 86787384) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID86787384
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESCC(CCc1cccc(F)c1)N1CCC(n2cncn2)CC1
InChIInChI=1S/C17H23FN4/c1-14(5-6-15-3-2-4-16(18)11-15)21-9-7-17(8-10-21)22-13-19-12-20-22/h2-4,11-14,17H,5-10H2,1H3
InChIKeyFLBRYBWRULXFPQ-UHFFFAOYSA-N
XLogP3.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine (CID 86787384) is 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine is CC(CCc1cccc(F)c1)N1CCC(n2cncn2)CC1.
What is the InChIKey of 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is FLBRYBWRULXFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-14(5-6-15-3-2-4-16(18)11-15)21-9-7-17(8-10-21)22-13-19-12-20-22/h2-4,11-14,17H,5-10H2,1H3.
What are the key properties of 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine?
1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 302.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)butan-2-yl]-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 86787384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).