1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine

C19H26FN3O — CID 70718133

IUPAC1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCCCN1Cc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C19H26FN3O/c1-24-13-4-7-18-6-2-3-11-22(18)15-16-14-17(20)8-9-19(16)23-12-5-10-21-23/h5,8-10,12,14,18H,2-4,6-7,11,13,15H2,1H3
InChIKeyUKIQOHQHEZDLAD-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.79
Rot. Bonds7

About 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine

1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine (PubChem CID 70718133) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine
PubChem CID70718133
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine
SMILESCOCCCC1CCCCN1Cc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C19H26FN3O/c1-24-13-4-7-18-6-2-3-11-22(18)15-16-14-17(20)8-9-19(16)23-12-5-10-21-23/h5,8-10,12,14,18H,2-4,6-7,11,13,15H2,1H3
InChIKeyUKIQOHQHEZDLAD-UHFFFAOYSA-N
XLogP3.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.79
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-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine?
The IUPAC name of 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine (CID 70718133) is 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine.
What is the SMILES notation for 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine?
The canonical SMILES for 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine is COCCCC1CCCCN1Cc1cc(F)ccc1-n1cccn1.
What is the InChIKey of 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine?
The InChIKey is UKIQOHQHEZDLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-24-13-4-7-18-6-2-3-11-22(18)15-16-14-17(20)8-9-19(16)23-12-5-10-21-23/h5,8-10,12,14,18H,2-4,6-7,11,13,15H2,1H3.
What are the key properties of 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine?
1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine has a molecular weight of 331.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(3-methoxypropyl)piperidine is sourced from PubChem (CID 70718133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).