2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone

C15H19NO3 — CID 35751

IUPAC2-(4-acetylphenoxy)-1-piperidin-1-ylethanone
SMILESCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCC2
InChIInChI=1S/C15H19NO3/c1-12(17)13-5-7-14(8-6-13)19-11-15(18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3
InChIKeyHFHLKKYWNAOHCI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone

2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone (PubChem CID 35751) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
PubChem CID35751
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(4-acetylphenoxy)-1-piperidin-1-ylethanone
SMILESCC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCC2
InChIInChI=1S/C15H19NO3/c1-12(17)13-5-7-14(8-6-13)19-11-15(18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3
InChIKeyHFHLKKYWNAOHCI-UHFFFAOYSA-N
XLogP1.50
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity315

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Propiophenone, 4'-butoxy-3-morpholino-, hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone?
The IUPAC name of 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone (CID 35751) is 2-(4-acetylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone?
The canonical SMILES for 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone is CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCC2.
What is the InChIKey of 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone?
The InChIKey is HFHLKKYWNAOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(17)13-5-7-14(8-6-13)19-11-15(18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone?
2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone is sourced from PubChem (CID 35751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).