methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate

C17H25NO3 — CID 117054282

IUPACmethyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OC(C)C1CCN(C)CC1
InChIInChI=1S/C17H25NO3/c1-13(14-8-10-18(2)11-9-14)21-16-7-5-4-6-15(16)12-17(19)20-3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyBHIMJCZMRVUUPJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.51
Rot. Bonds5

About methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate

methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate (PubChem CID 117054282) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate
PubChem CID117054282
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OC(C)C1CCN(C)CC1
InChIInChI=1S/C17H25NO3/c1-13(14-8-10-18(2)11-9-14)21-16-7-5-4-6-15(16)12-17(19)20-3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyBHIMJCZMRVUUPJ-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
CID 117094856
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate
CID 117053576
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
2-(2-ethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]propanamide
CID 132660321
methyl 2-(2-methylsulfonyloxyphenyl)acetate
CID 140986015
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate (CID 117054282) is methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate is COC(=O)Cc1ccccc1OC(C)C1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate?
The InChIKey is BHIMJCZMRVUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(14-8-10-18(2)11-9-14)21-16-7-5-4-6-15(16)12-17(19)20-3/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate?
methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate is sourced from PubChem (CID 117054282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).