1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H25NO2 — CID 110479648

IUPAC1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccccc1C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)16(19)18-11-9-13(10-12-18)14-7-5-6-8-15(14)20-4/h5-8,13H,9-12H2,1-4H3
InChIKeyYEHSKMYBBBLCLL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.45
Rot. Bonds2

About 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110479648) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110479648
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOc1ccccc1C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)16(19)18-11-9-13(10-12-18)14-7-5-6-8-15(14)20-4/h5-8,13H,9-12H2,1-4H3
InChIKeyYEHSKMYBBBLCLL-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 170306056
methyl 4-[[4-(2-methoxyphenyl)piperidine-1-carbothioyl]amino]benzoate
CID 3779210
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 110479648) is 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is COc1ccccc1C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is YEHSKMYBBBLCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)16(19)18-11-9-13(10-12-18)14-7-5-6-8-15(14)20-4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110479648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).