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

C24H29FN4 — CID 142003948

IUPAC4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine
SMILESCC(CCN1CCC(n2cnc(Cc3ccc(F)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H29FN4/c1-19(21-5-3-2-4-6-21)11-14-28-15-12-23(13-16-28)29-18-26-24(27-29)17-20-7-9-22(25)10-8-20/h2-10,18-19,23H,11-17H2,1H3
InChIKeyNQWSSRWRLQOXEG-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.84
Rot. Bonds7

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

4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine (PubChem CID 142003948) has the molecular formula C24H29FN4 and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine
PubChem CID142003948
Molecular FormulaC24H29FN4
Molecular Weight392.52 g/mol
Exact Mass392.24
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine
SMILESCC(CCN1CCC(n2cnc(Cc3ccc(F)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H29FN4/c1-19(21-5-3-2-4-6-21)11-14-28-15-12-23(13-16-28)29-18-26-24(27-29)17-20-7-9-22(25)10-8-20/h2-10,18-19,23H,11-17H2,1H3
InChIKeyNQWSSRWRLQOXEG-UHFFFAOYSA-N
XLogP4.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine (CID 142003948) is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine is CC(CCN1CCC(n2cnc(Cc3ccc(F)cc3)n2)CC1)c1ccccc1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine?
The InChIKey is NQWSSRWRLQOXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4/c1-19(21-5-3-2-4-6-21)11-14-28-15-12-23(13-16-28)29-18-26-24(27-29)17-20-7-9-22(25)10-8-20/h2-10,18-19,23H,11-17H2,1H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine?
4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine has a molecular weight of 392.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-1-(3-phenylbutyl)piperidine is sourced from PubChem (CID 142003948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).