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

C16H20FN3 — CID 79596234

IUPAC4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine
SMILESCc1c(C2CCNCC2c2cccc(F)c2)cnn1C
InChIInChI=1S/C16H20FN3/c1-11-15(10-19-20(11)2)14-6-7-18-9-16(14)12-4-3-5-13(17)8-12/h3-5,8,10,14,16,18H,6-7,9H2,1-2H3
InChIKeyDYPFADUBLWFNDQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.73
Rot. Bonds2

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

4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine (PubChem CID 79596234) 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-(3-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine
PubChem CID79596234
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine
SMILESCc1c(C2CCNCC2c2cccc(F)c2)cnn1C
InChIInChI=1S/C16H20FN3/c1-11-15(10-19-20(11)2)14-6-7-18-9-16(14)12-4-3-5-13(17)8-12/h3-5,8,10,14,16,18H,6-7,9H2,1-2H3
InChIKeyDYPFADUBLWFNDQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine (CID 79596234) is 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine is Cc1c(C2CCNCC2c2cccc(F)c2)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine?
The InChIKey is DYPFADUBLWFNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11-15(10-19-20(11)2)14-6-7-18-9-16(14)12-4-3-5-13(17)8-12/h3-5,8,10,14,16,18H,6-7,9H2,1-2H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine?
4-(1,5-dimethylpyrazol-4-yl)-3-(3-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-(3-fluorophenyl)piperidine is sourced from PubChem (CID 79596234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).