2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

C17H25NO2 — CID 62931770

IUPAC2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13(18-11-9-17(2,3)10-12-18)16(19)14-5-7-15(20-4)8-6-14/h5-8,13H,9-12H2,1-4H3
InChIKeyDWTIAVKKCDXTLV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds4

About 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 62931770) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID62931770
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H25NO2/c1-13(18-11-9-17(2,3)10-12-18)16(19)14-5-7-15(20-4)8-6-14/h5-8,13H,9-12H2,1-4H3
InChIKeyDWTIAVKKCDXTLV-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
2-(2,2-dimethylpyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63217349
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62930219
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (CID 62931770) is 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N2CCC(C)(C)CC2)cc1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is DWTIAVKKCDXTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18-11-9-17(2,3)10-12-18)16(19)14-5-7-15(20-4)8-6-14/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 62931770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).