4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine

C16H20FN3 — CID 79596341

IUPAC4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine
SMILESCc1c(C2CCNCC2c2ccccc2F)cnn1C
InChIInChI=1S/C16H20FN3/c1-11-14(10-19-20(11)2)12-7-8-18-9-15(12)13-5-3-4-6-16(13)17/h3-6,10,12,15,18H,7-9H2,1-2H3
InChIKeyFGJWLUPRSWVFEE-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.73
Rot. Bonds2

About 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine

4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine (PubChem CID 79596341) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine
PubChem CID79596341
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine
SMILESCc1c(C2CCNCC2c2ccccc2F)cnn1C
InChIInChI=1S/C16H20FN3/c1-11-14(10-19-20(11)2)12-7-8-18-9-15(12)13-5-3-4-6-16(13)17/h3-6,10,12,15,18H,7-9H2,1-2H3
InChIKeyFGJWLUPRSWVFEE-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine
CID 79596234
3-(2-fluorophenyl)-4-propan-2-ylpiperidine
CID 79455121
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
CID 79454812
1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
CID 79583940
1,5-dimethyl-4-(2-methylpyrrolidin-3-yl)pyrazole
CID 79584030
4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
CID 79440006
4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine
CID 106819231
4-(4,5-dibromothiophen-2-yl)-3-(2-fluorophenyl)piperidine
CID 102845494
3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine
CID 79455056
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
4-(2,2-dimethylpyrrolidin-3-yl)-1,5-dimethylpyrazole
CID 79584128
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine (CID 79596341) is 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine is Cc1c(C2CCNCC2c2ccccc2F)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine?
The InChIKey is FGJWLUPRSWVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11-14(10-19-20(11)2)12-7-8-18-9-15(12)13-5-3-4-6-16(13)17/h3-6,10,12,15,18H,7-9H2,1-2H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine?
4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine has a molecular weight of 273.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine is sourced from PubChem (CID 79596341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).