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

C15H21NO3 — CID 54944825

IUPAC1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
SMILESCC1CCN(CC(O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-6-16(7-5-11)9-13(17)12-2-3-14-15(8-12)19-10-18-14/h2-3,8,11,13,17H,4-7,9-10H2,1H3
InChIKeyXNNIIFJDRLQKKI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds3

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

1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol (PubChem CID 54944825) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
PubChem CID54944825
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
SMILESCC1CCN(CC(O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-6-16(7-5-11)9-13(17)12-2-3-14-15(8-12)19-10-18-14/h2-3,8,11,13,17H,4-7,9-10H2,1H3
InChIKeyXNNIIFJDRLQKKI-UHFFFAOYSA-N
XLogP2.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 60979825
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905094
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
1-[1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 51119941
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
N-[1-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 52533981
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-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol (CID 54944825) is 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol is CC1CCN(CC(O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol?
The InChIKey is XNNIIFJDRLQKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-6-16(7-5-11)9-13(17)12-2-3-14-15(8-12)19-10-18-14/h2-3,8,11,13,17H,4-7,9-10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol?
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol has a molecular weight of 263.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 54944825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).