1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone

C16H23NO3 — CID 117052386

IUPAC1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OC1(C)CCN(C)CC1
InChIInChI=1S/C16H23NO3/c1-12(18)13-6-5-7-14(19-4)15(13)20-16(2)8-10-17(3)11-9-16/h5-7H,8-11H2,1-4H3
InChIKeyDTWHZUKIAAKOGG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.76
Rot. Bonds4

About 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone

1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone (PubChem CID 117052386) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone
PubChem CID117052386
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1OC1(C)CCN(C)CC1
InChIInChI=1S/C16H23NO3/c1-12(18)13-6-5-7-14(19-4)15(13)20-16(2)8-10-17(3)11-9-16/h5-7H,8-11H2,1-4H3
InChIKeyDTWHZUKIAAKOGG-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
CID 117054021
1-[3-(1,4-dimethylpiperidin-4-yl)oxyphenyl]ethanone
CID 117051921
3-methoxy-2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117054046
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
2-(1,4-dimethylpiperidin-4-yl)oxyaniline
CID 117095472
1-(3-methoxy-2-methylsulfanylphenyl)ethanone
CID 117286399
(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
CID 110637980
1-[2-(4-hydroxy-1-methylpiperidin-4-yl)phenyl]ethanone
CID 105493011
N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone (CID 117052386) is 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone is COc1cccc(C(C)=O)c1OC1(C)CCN(C)CC1.
What is the InChIKey of 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone?
The InChIKey is DTWHZUKIAAKOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)13-6-5-7-14(19-4)15(13)20-16(2)8-10-17(3)11-9-16/h5-7H,8-11H2,1-4H3.
What are the key properties of 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone?
1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethylpiperidin-4-yl)oxy-3-methoxyphenyl]ethanone is sourced from PubChem (CID 117052386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).