1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone

C17H25NO3 — CID 103801800

IUPAC1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCCC2CCCCN2C)c1
InChIInChI=1S/C17H25NO3/c1-13(19)16-8-7-15(20-3)12-17(16)21-11-9-14-6-4-5-10-18(14)2/h7-8,12,14H,4-6,9-11H2,1-3H3
InChIKeyDXAKDKAYBWRXLN-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.15
Rot. Bonds6

About 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone

1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone (PubChem CID 103801800) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
PubChem CID103801800
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCCC2CCCCN2C)c1
InChIInChI=1S/C17H25NO3/c1-13(19)16-8-7-15(20-3)12-17(16)21-11-9-14-6-4-5-10-18(14)2/h7-8,12,14H,4-6,9-11H2,1-3H3
InChIKeyDXAKDKAYBWRXLN-UHFFFAOYSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
1-[2-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]phenyl]ethanone
CID 26546462
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone (CID 103801800) is 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone is COc1ccc(C(C)=O)c(OCCC2CCCCN2C)c1.
What is the InChIKey of 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone?
The InChIKey is DXAKDKAYBWRXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(19)16-8-7-15(20-3)12-17(16)21-11-9-14-6-4-5-10-18(14)2/h7-8,12,14H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone?
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 103801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).