1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol

C15H21NO4 — CID 60979825

IUPAC1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
SMILESCOC1CCN(CC(O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21NO4/c1-18-12-4-6-16(7-5-12)9-13(17)11-2-3-14-15(8-11)20-10-19-14/h2-3,8,12-13,17H,4-7,9-10H2,1H3
InChIKeyIORSSKKKKNQALD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.56
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol

1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol (PubChem CID 60979825) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
PubChem CID60979825
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
SMILESCOC1CCN(CC(O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21NO4/c1-18-12-4-6-16(7-5-12)9-13(17)11-2-3-14-15(8-11)20-10-19-14/h2-3,8,12-13,17H,4-7,9-10H2,1H3
InChIKeyIORSSKKKKNQALD-UHFFFAOYSA-N
XLogP1.56
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
N-[1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 52533981
1-[1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 51119941
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341931
1-[(2R)-2-[(2R)-1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 100843926
4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 16673266

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol (CID 60979825) is 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol is COC1CCN(CC(O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol?
The InChIKey is IORSSKKKKNQALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-12-4-6-16(7-5-12)9-13(17)11-2-3-14-15(8-11)20-10-19-14/h2-3,8,12-13,17H,4-7,9-10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol?
1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol has a molecular weight of 279.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol is sourced from PubChem (CID 60979825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).