4-phenoxy-1-piperidin-1-ylbutan-1-one

C15H21NO2 — CID 2164024

IUPAC4-phenoxy-1-piperidin-1-ylbutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H21NO2/c17-15(16-11-5-2-6-12-16)10-7-13-18-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2
InChIKeyJYQLTFKPZPHOIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds5

About 4-phenoxy-1-piperidin-1-ylbutan-1-one

4-phenoxy-1-piperidin-1-ylbutan-1-one (PubChem CID 2164024) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-phenoxy-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-phenoxy-1-piperidin-1-ylbutan-1-one
PubChem CID2164024
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-phenoxy-1-piperidin-1-ylbutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCCCC1
InChIInChI=1S/C15H21NO2/c17-15(16-11-5-2-6-12-16)10-7-13-18-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2
InChIKeyJYQLTFKPZPHOIH-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-phenoxy-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-phenoxy-1-piperidin-1-ylbutan-1-one (CID 2164024) is 4-phenoxy-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-phenoxy-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-phenoxy-1-piperidin-1-ylbutan-1-one is O=C(CCCOc1ccccc1)N1CCCCC1.
What is the InChIKey of 4-phenoxy-1-piperidin-1-ylbutan-1-one?
The InChIKey is JYQLTFKPZPHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(16-11-5-2-6-12-16)10-7-13-18-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2.
What are the key properties of 4-phenoxy-1-piperidin-1-ylbutan-1-one?
4-phenoxy-1-piperidin-1-ylbutan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 2164024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).