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

C17H23N3O — CID 3070795

IUPAC1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
SMILESc1ccc(-c2cc(OCCCN3CCCCC3)n[nH]2)cc1
InChIInChI=1S/C17H23N3O/c1-3-8-15(9-4-1)16-14-17(19-18-16)21-13-7-12-20-10-5-2-6-11-20/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,18,19)
InChIKeyHVVJJOONWMGMSZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds6

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

1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine (PubChem CID 3070795) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
PubChem CID3070795
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
SMILESc1ccc(-c2cc(OCCCN3CCCCC3)n[nH]2)cc1
InChIInChI=1S/C17H23N3O/c1-3-8-15(9-4-1)16-14-17(19-18-16)21-13-7-12-20-10-5-2-6-11-20/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,18,19)
InChIKeyHVVJJOONWMGMSZ-UHFFFAOYSA-N
XLogP3.33
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
The IUPAC name of 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine (CID 3070795) is 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
The canonical SMILES for 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine is c1ccc(-c2cc(OCCCN3CCCCC3)n[nH]2)cc1.
What is the InChIKey of 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
The InChIKey is HVVJJOONWMGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-15(9-4-1)16-14-17(19-18-16)21-13-7-12-20-10-5-2-6-11-20/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,18,19).
What are the key properties of 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine is sourced from PubChem (CID 3070795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).