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

C15H21NO3 — CID 117054228

IUPACmethyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C15H21NO3/c1-16-9-7-13(8-10-16)19-14-6-4-3-5-12(14)11-15(17)18-2/h3-6,13H,7-11H2,1-2H3
InChIKeyHUYQSBLXAPTZCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds4

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

methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate (PubChem CID 117054228) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
PubChem CID117054228
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
SMILESCOC(=O)Cc1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C15H21NO3/c1-16-9-7-13(8-10-16)19-14-6-4-3-5-12(14)11-15(17)18-2/h3-6,13H,7-11H2,1-2H3
InChIKeyHUYQSBLXAPTZCR-UHFFFAOYSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate
CID 117054282
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 117095351
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
CID 174486907
2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
CID 117094856
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
(3aR,7aS)-N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 124885282
2-[4-[2-(1-methylpiperidin-4-yl)oxyanilino]phenyl]ethanol
CID 163317307

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The IUPAC name of methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate (CID 117054228) is methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate is COC(=O)Cc1ccccc1OC1CCN(C)CC1.
What is the InChIKey of methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
The InChIKey is HUYQSBLXAPTZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-9-7-13(8-10-16)19-14-6-4-3-5-12(14)11-15(17)18-2/h3-6,13H,7-11H2,1-2H3.
What are the key properties of methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate?
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate is sourced from PubChem (CID 117054228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).