1-(5-methoxy-2-methylphenyl)piperidin-4-one

C13H17NO2 — CID 90151171

IUPAC1-(5-methoxy-2-methylphenyl)piperidin-4-one
SMILESCOc1ccc(C)c(N2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-10-3-4-12(16-2)9-13(10)14-7-5-11(15)6-8-14/h3-4,9H,5-8H2,1-2H3
InChIKeyPFXMXGJASCSPFP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.17
Rot. Bonds2

About 1-(5-methoxy-2-methylphenyl)piperidin-4-one

1-(5-methoxy-2-methylphenyl)piperidin-4-one (PubChem CID 90151171) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(5-methoxy-2-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-methoxy-2-methylphenyl)piperidin-4-one
PubChem CID90151171
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(5-methoxy-2-methylphenyl)piperidin-4-one
SMILESCOc1ccc(C)c(N2CCC(=O)CC2)c1
InChIInChI=1S/C13H17NO2/c1-10-3-4-12(16-2)9-13(10)14-7-5-11(15)6-8-14/h3-4,9H,5-8H2,1-2H3
InChIKeyPFXMXGJASCSPFP-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methylphenyl)piperidin-4-one?
The IUPAC name of 1-(5-methoxy-2-methylphenyl)piperidin-4-one (CID 90151171) is 1-(5-methoxy-2-methylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(5-methoxy-2-methylphenyl)piperidin-4-one?
The canonical SMILES for 1-(5-methoxy-2-methylphenyl)piperidin-4-one is COc1ccc(C)c(N2CCC(=O)CC2)c1.
What is the InChIKey of 1-(5-methoxy-2-methylphenyl)piperidin-4-one?
The InChIKey is PFXMXGJASCSPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-3-4-12(16-2)9-13(10)14-7-5-11(15)6-8-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-methylphenyl)piperidin-4-one?
1-(5-methoxy-2-methylphenyl)piperidin-4-one has a molecular weight of 219.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methylphenyl)piperidin-4-one is sourced from PubChem (CID 90151171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).