1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C17H25NO2 — CID 110357763

IUPAC1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOC(c1ccccc1)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H25NO2/c1-13(2)17(19)18-11-9-15(10-12-18)16(20-3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3
InChIKeyVPLLJRVLUXEYOY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.27
Rot. Bonds4

About 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 110357763) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID110357763
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOC(c1ccccc1)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H25NO2/c1-13(2)17(19)18-11-9-15(10-12-18)16(20-3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3
InChIKeyVPLLJRVLUXEYOY-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
1-(2-chlorophenyl)-4-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 110607769
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356445
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 110357763) is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one is COC(c1ccccc1)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VPLLJRVLUXEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)17(19)18-11-9-15(10-12-18)16(20-3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3.
What are the key properties of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110357763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).