1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one

C17H25NO2 — CID 116611214

IUPAC1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C2CCCNC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-10-14(20-4)7-8-15(12)16(19)17(2,3)13-6-5-9-18-11-13/h7-8,10,13,18H,5-6,9,11H2,1-4H3
InChIKeyYZKDJGQMCGEECP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 116611214) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID116611214
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)(C)C2CCCNC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-10-14(20-4)7-8-15(12)16(19)17(2,3)13-6-5-9-18-11-13/h7-8,10,13,18H,5-6,9,11H2,1-4H3
InChIKeyYZKDJGQMCGEECP-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107515011
N-[(3-methoxyphenyl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034070
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
CID 116611171
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
N-(2-methoxy-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198711
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611168
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 116611214) is 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one is COc1ccc(C(=O)C(C)(C)C2CCCNC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is YZKDJGQMCGEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-10-14(20-4)7-8-15(12)16(19)17(2,3)13-6-5-9-18-11-13/h7-8,10,13,18H,5-6,9,11H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 116611214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).