4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine

C19H23FN4 — CID 46994815

IUPAC4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
SMILESFc1ccc(/C=C/CN2CCC(n3cc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C19H23FN4/c20-17-7-3-15(4-8-17)2-1-11-23-12-9-18(10-13-23)24-14-19(21-22-24)16-5-6-16/h1-4,7-8,14,16,18H,5-6,9-13H2/b2-1+
InChIKeyZBLPJZUZTDETPY-OWOJBTEDSA-N
MW326.42 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine

4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine (PubChem CID 46994815) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
PubChem CID46994815
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
SMILESFc1ccc(/C=C/CN2CCC(n3cc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C19H23FN4/c20-17-7-3-15(4-8-17)2-1-11-23-12-9-18(10-13-23)24-14-19(21-22-24)16-5-6-16/h1-4,7-8,14,16,18H,5-6,9-13H2/b2-1+
InChIKeyZBLPJZUZTDETPY-OWOJBTEDSA-N
XLogP3.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-[(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 45248901
1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414
4-ethyl-3-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50959679
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46993628
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 121190624
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride
CID 45261258
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1,4-dicyclohexyltriazole
CID 46204135

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine (CID 46994815) is 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine is Fc1ccc(/C=C/CN2CCC(n3cc(C4CC4)nn3)CC2)cc1.
What is the InChIKey of 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The InChIKey is ZBLPJZUZTDETPY-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H23FN4/c20-17-7-3-15(4-8-17)2-1-11-23-12-9-18(10-13-23)24-14-19(21-22-24)16-5-6-16/h1-4,7-8,14,16,18H,5-6,9-13H2/b2-1+.
What are the key properties of 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine has a molecular weight of 326.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyltriazol-1-yl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 46994815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).