1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine

C16H21N3O — CID 20841059

IUPAC1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
SMILESCC(Oc1cc(-c2ccccc2)[nH]n1)N1CCCCC1
InChIInChI=1S/C16H21N3O/c1-13(19-10-6-3-7-11-19)20-16-12-15(17-18-16)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyIDEFZQPJIRULGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.29
Rot. Bonds4

About 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine

1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine (PubChem CID 20841059) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
PubChem CID20841059
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
SMILESCC(Oc1cc(-c2ccccc2)[nH]n1)N1CCCCC1
InChIInChI=1S/C16H21N3O/c1-13(19-10-6-3-7-11-19)20-16-12-15(17-18-16)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,17,18)
InChIKeyIDEFZQPJIRULGH-UHFFFAOYSA-N
XLogP3.29
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine?
The IUPAC name of 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine (CID 20841059) is 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine.
What is the SMILES notation for 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine?
The canonical SMILES for 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine is CC(Oc1cc(-c2ccccc2)[nH]n1)N1CCCCC1.
What is the InChIKey of 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine?
The InChIKey is IDEFZQPJIRULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(19-10-6-3-7-11-19)20-16-12-15(17-18-16)14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,17,18).
What are the key properties of 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine?
1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine is sourced from PubChem (CID 20841059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).