1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine

C20H28FN3O — CID 126749806

IUPAC1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine
SMILESCC(C)c1nn(-c2ccc(F)cc2)cc1OCCCN1CCCCC1
InChIInChI=1S/C20H28FN3O/c1-16(2)20-19(25-14-6-13-23-11-4-3-5-12-23)15-24(22-20)18-9-7-17(21)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyNQYAAGRQOHXUEW-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.39
Rot. Bonds7

About 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine

1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine (PubChem CID 126749806) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine.

Molecular Properties

Compound Name1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine
PubChem CID126749806
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine
SMILESCC(C)c1nn(-c2ccc(F)cc2)cc1OCCCN1CCCCC1
InChIInChI=1S/C20H28FN3O/c1-16(2)20-19(25-14-6-13-23-11-4-3-5-12-23)15-24(22-20)18-9-7-17(21)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyNQYAAGRQOHXUEW-UHFFFAOYSA-N
XLogP4.39
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine?
The IUPAC name of 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine (CID 126749806) is 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine.
What is the SMILES notation for 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine?
The canonical SMILES for 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine is CC(C)c1nn(-c2ccc(F)cc2)cc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine?
The InChIKey is NQYAAGRQOHXUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-16(2)20-19(25-14-6-13-23-11-4-3-5-12-23)15-24(22-20)18-9-7-17(21)8-10-18/h7-10,15-16H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine?
1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine has a molecular weight of 345.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine is sourced from PubChem (CID 126749806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).