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

C15H18FN3 — CID 115054107

IUPAC4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
SMILESFc1ccccc1-n1cc(CC2CCNCC2)cn1
InChIInChI=1S/C15H18FN3/c16-14-3-1-2-4-15(14)19-11-13(10-18-19)9-12-5-7-17-8-6-12/h1-4,10-12,17H,5-9H2
InChIKeyQOECCGJNXCMNRN-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.55
Rot. Bonds3

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

4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine (PubChem CID 115054107) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
PubChem CID115054107
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
SMILESFc1ccccc1-n1cc(CC2CCNCC2)cn1
InChIInChI=1S/C15H18FN3/c16-14-3-1-2-4-15(14)19-11-13(10-18-19)9-12-5-7-17-8-6-12/h1-4,10-12,17H,5-9H2
InChIKeyQOECCGJNXCMNRN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine (CID 115054107) is 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine is Fc1ccccc1-n1cc(CC2CCNCC2)cn1.
What is the InChIKey of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
The InChIKey is QOECCGJNXCMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-14-3-1-2-4-15(14)19-11-13(10-18-19)9-12-5-7-17-8-6-12/h1-4,10-12,17H,5-9H2.
What are the key properties of 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine?
4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine has a molecular weight of 259.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 115054107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).