1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone

C15H21NO2 — CID 58236539

IUPAC1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(CN2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12(17)15-7-6-14(18-2)10-13(15)11-16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyLPIHRFUQSSRNEF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone

1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone (PubChem CID 58236539) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
PubChem CID58236539
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(CN2CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12(17)15-7-6-14(18-2)10-13(15)11-16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyLPIHRFUQSSRNEF-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone (CID 58236539) is 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone is COc1ccc(C(C)=O)c(CN2CCCCC2)c1.
What is the InChIKey of 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone?
The InChIKey is LPIHRFUQSSRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)15-7-6-14(18-2)10-13(15)11-16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone?
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 58236539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).