1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol

C14H19NO3 — CID 82480573

IUPAC1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19NO3/c16-12-4-7-15(8-5-12)6-3-11-1-2-13-14(9-11)18-10-17-13/h1-2,9,12,16H,3-8,10H2
InChIKeyXNQSTHYVWHHKTH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds3

About 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol

1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol (PubChem CID 82480573) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
PubChem CID82480573
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H19NO3/c16-12-4-7-15(8-5-12)6-3-11-1-2-13-14(9-11)18-10-17-13/h1-2,9,12,16H,3-8,10H2
InChIKeyXNQSTHYVWHHKTH-UHFFFAOYSA-N
XLogP1.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
3-[2-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-3-azabicyclo[3.2.1]octane
CID 68972233
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
CID 53329789
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
CID 82475686
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 79029482
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine
CID 24738725
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine;dihydrochloride
CID 66996145
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 87000378
1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrole-2-carbaldehyde
CID 83649262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol (CID 82480573) is 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol is OC1CCN(CCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is XNQSTHYVWHHKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12-4-7-15(8-5-12)6-3-11-1-2-13-14(9-11)18-10-17-13/h1-2,9,12,16H,3-8,10H2.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol?
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 249.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82480573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).