1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine

C17H22FN3O — CID 59660702

IUPAC1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine
SMILESCc1cc(F)n(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C17H22FN3O/c1-14-13-17(18)21(19-14)15-5-7-16(8-6-15)22-12-11-20-9-3-2-4-10-20/h5-8,13H,2-4,9-12H2,1H3
InChIKeyLXJLUXSRRPXPOB-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine

1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine (PubChem CID 59660702) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine
PubChem CID59660702
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine
SMILESCc1cc(F)n(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C17H22FN3O/c1-14-13-17(18)21(19-14)15-5-7-16(8-6-15)22-12-11-20-9-3-2-4-10-20/h5-8,13H,2-4,9-12H2,1H3
InChIKeyLXJLUXSRRPXPOB-UHFFFAOYSA-N
XLogP3.18
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine (CID 59660702) is 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine is Cc1cc(F)n(-c2ccc(OCCN3CCCCC3)cc2)n1.
What is the InChIKey of 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine?
The InChIKey is LXJLUXSRRPXPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-14-13-17(18)21(19-14)15-5-7-16(8-6-15)22-12-11-20-9-3-2-4-10-20/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine?
1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine has a molecular weight of 303.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 59660702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).