(2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine

C15H18FN3 — CID 67157941

IUPAC(2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine
SMILESFc1ccc(-c2ccn(C[C@@H]3CCCCN3)n2)cc1
InChIInChI=1S/C15H18FN3/c16-13-6-4-12(5-7-13)15-8-10-19(18-15)11-14-3-1-2-9-17-14/h4-8,10,14,17H,1-3,9,11H2/t14-/m0/s1
InChIKeyVSZYJLPQVWFMTH-AWEZNQCLSA-N
MW259.33 g/mol
LogP2.83
Rot. Bonds3

About (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine

(2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine (PubChem CID 67157941) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine
PubChem CID67157941
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name(2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine
SMILESFc1ccc(-c2ccn(C[C@@H]3CCCCN3)n2)cc1
InChIInChI=1S/C15H18FN3/c16-13-6-4-12(5-7-13)15-8-10-19(18-15)11-14-3-1-2-9-17-14/h4-8,10,14,17H,1-3,9,11H2/t14-/m0/s1
InChIKeyVSZYJLPQVWFMTH-AWEZNQCLSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine (CID 67157941) is (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine is Fc1ccc(-c2ccn(C[C@@H]3CCCCN3)n2)cc1.
What is the InChIKey of (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is VSZYJLPQVWFMTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18FN3/c16-13-6-4-12(5-7-13)15-8-10-19(18-15)11-14-3-1-2-9-17-14/h4-8,10,14,17H,1-3,9,11H2/t14-/m0/s1.
What are the key properties of (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine?
(2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 259.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 67157941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).