1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone

C14H19NO2 — CID 53016296

IUPAC1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C14H19NO2/c1-11(16)15-9-7-13(8-10-15)12-3-5-14(17-2)6-4-12/h3-6,13H,7-10H2,1-2H3
InChIKeyGSKIJOUSMMGPQZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds2

About 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone

1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone (PubChem CID 53016296) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone
PubChem CID53016296
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C14H19NO2/c1-11(16)15-9-7-13(8-10-15)12-3-5-14(17-2)6-4-12/h3-6,13H,7-10H2,1-2H3
InChIKeyGSKIJOUSMMGPQZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone (CID 53016296) is 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone is COc1ccc(C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is GSKIJOUSMMGPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)15-9-7-13(8-10-15)12-3-5-14(17-2)6-4-12/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone?
1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53016296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).