[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol

C16H23NO4 — CID 107912808

IUPAC[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol
SMILESCN1CCCCC1CCOc1cc2c(cc1CO)OCO2
InChIInChI=1S/C16H23NO4/c1-17-6-3-2-4-13(17)5-7-19-14-9-16-15(20-11-21-16)8-12(14)10-18/h8-9,13,18H,2-7,10-11H2,1H3
InChIKeyUQXWARPUKVOBPS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.16
Rot. Bonds5

About [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol

[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol (PubChem CID 107912808) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol
PubChem CID107912808
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol
SMILESCN1CCCCC1CCOc1cc2c(cc1CO)OCO2
InChIInChI=1S/C16H23NO4/c1-17-6-3-2-4-13(17)5-7-19-14-9-16-15(20-11-21-16)8-12(14)10-18/h8-9,13,18H,2-7,10-11H2,1H3
InChIKeyUQXWARPUKVOBPS-UHFFFAOYSA-N
XLogP2.16
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55013145

Frequently Asked Questions

What is the IUPAC name of [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol (CID 107912808) is [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol is CN1CCCCC1CCOc1cc2c(cc1CO)OCO2.
What is the InChIKey of [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol?
The InChIKey is UQXWARPUKVOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-17-6-3-2-4-13(17)5-7-19-14-9-16-15(20-11-21-16)8-12(14)10-18/h8-9,13,18H,2-7,10-11H2,1H3.
What are the key properties of [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol?
[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol has a molecular weight of 293.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 107912808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).