1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone

C15H21NO2 — CID 117051921

IUPAC1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cccc(OC2(C)CCN(C)CC2)c1
InChIInChI=1S/C15H21NO2/c1-12(17)13-5-4-6-14(11-13)18-15(2)7-9-16(3)10-8-15/h4-6,11H,7-10H2,1-3H3
InChIKeyFBNWIVADDGYCGD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds3

About 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone

1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone (PubChem CID 117051921) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone
PubChem CID117051921
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone
SMILESCC(=O)c1cccc(OC2(C)CCN(C)CC2)c1
InChIInChI=1S/C15H21NO2/c1-12(17)13-5-4-6-14(11-13)18-15(2)7-9-16(3)10-8-15/h4-6,11H,7-10H2,1-3H3
InChIKeyFBNWIVADDGYCGD-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone (CID 117051921) is 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone is CC(=O)c1cccc(OC2(C)CCN(C)CC2)c1.
What is the InChIKey of 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone?
The InChIKey is FBNWIVADDGYCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)13-5-4-6-14(11-13)18-15(2)7-9-16(3)10-8-15/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone?
1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 117051921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).