2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one

C16H23NO2 — CID 102960458

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCOC1CN(C(C)C(=O)c2ccccc2)CCC1C
InChIInChI=1S/C16H23NO2/c1-12-9-10-17(11-15(12)19-3)13(2)16(18)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyXEAFNXGKMKJQME-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds4

About 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one

2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 102960458) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID102960458
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCOC1CN(C(C)C(=O)c2ccccc2)CCC1C
InChIInChI=1S/C16H23NO2/c1-12-9-10-17(11-15(12)19-3)13(2)16(18)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyXEAFNXGKMKJQME-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
CID 43227828
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
CID 117067726
2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82864087
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one (CID 102960458) is 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one is COC1CN(C(C)C(=O)c2ccccc2)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is XEAFNXGKMKJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-9-10-17(11-15(12)19-3)13(2)16(18)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 102960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).