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

C18H27NO2 — CID 110357769

IUPAC1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC(c1ccccc1)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)17(20)19-12-10-15(11-13-19)16(21-4)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3
InChIKeySGNBFBOWEQLMGF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds3

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

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110357769) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110357769
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC(c1ccccc1)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)17(20)19-12-10-15(11-13-19)16(21-4)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3
InChIKeySGNBFBOWEQLMGF-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
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
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 42842520
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597

Frequently Asked Questions

What is the IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 110357769) is 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is COC(c1ccccc1)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SGNBFBOWEQLMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)17(20)19-12-10-15(11-13-19)16(21-4)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3.
What are the key properties of 1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.66, 3 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110357769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).