1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one

C15H21NO2 — CID 53320281

IUPAC1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H21NO2/c1-3-15(17)16-9-7-12(8-10-16)13-5-4-6-14(11-13)18-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyCZZMLBMLLHKHMD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one

1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one (PubChem CID 53320281) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
PubChem CID53320281
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H21NO2/c1-3-15(17)16-9-7-12(8-10-16)13-5-4-6-14(11-13)18-2/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyCZZMLBMLLHKHMD-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one (CID 53320281) is 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is CZZMLBMLLHKHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(17)16-9-7-12(8-10-16)13-5-4-6-14(11-13)18-2/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one?
1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53320281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).