1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine

C17H22FN3 — CID 86773590

IUPAC1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCC(C1=CC(=CC=C1)F)N2CCC(CC2)C3=CN(N=C3)C
InChIInChI=1S/C17H22FN3/c1-13(15-4-3-5-17(18)10-15)21-8-6-14(7-9-21)16-11-19-20(2)12-16/h3-5,10-14H,6-9H2,1-2H3
InChIKeyHPHIBCYGRSESCC-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.80
Rot. Bonds3

About 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine

1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 86773590) has the molecular formula C17H22FN3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID86773590
Molecular FormulaC17H22FN3
Molecular Weight287.37 g/mol
Exact Mass287.18
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCC(C1=CC(=CC=C1)F)N2CCC(CC2)C3=CN(N=C3)C
InChIInChI=1S/C17H22FN3/c1-13(15-4-3-5-17(18)10-15)21-8-6-14(7-9-21)16-11-19-20(2)12-16/h3-5,10-14H,6-9H2,1-2H3
InChIKeyHPHIBCYGRSESCC-UHFFFAOYSA-N
XLogP2.80
TPSA21.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity330

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
Fezolamine
CID 54567
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
3-[4-(3-Methyl-4-phenyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
CID 21219176

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine (CID 86773590) is 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine is CC(C1=CC(=CC=C1)F)N2CCC(CC2)C3=CN(N=C3)C.
What is the InChIKey of 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is HPHIBCYGRSESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(15-4-3-5-17(18)10-15)21-8-6-14(7-9-21)16-11-19-20(2)12-16/h3-5,10-14H,6-9H2,1-2H3.
What are the key properties of 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 287.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-Fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 86773590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).