6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol

C13H17NO3 — CID 84797363

IUPAC6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol
SMILESOc1cc(CC2CCCNC2)cc2c1OCO2
InChIInChI=1S/C13H17NO3/c15-11-5-10(4-9-2-1-3-14-7-9)6-12-13(11)17-8-16-12/h5-6,9,14-15H,1-4,7-8H2
InChIKeyIHJQYJYOXXYVFY-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.66
Rot. Bonds2

About 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol

6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol (PubChem CID 84797363) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol
PubChem CID84797363
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol
SMILESOc1cc(CC2CCCNC2)cc2c1OCO2
InChIInChI=1S/C13H17NO3/c15-11-5-10(4-9-2-1-3-14-7-9)6-12-13(11)17-8-16-12/h5-6,9,14-15H,1-4,7-8H2
InChIKeyIHJQYJYOXXYVFY-UHFFFAOYSA-N
XLogP1.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(7-fluoro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117346793
3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84815889
3-[(7-nitro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 116987864
6-(piperidin-2-ylmethyl)-1,3-benzodioxol-4-ol
CID 117342511
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
CID 117417365
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol?
The IUPAC name of 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol (CID 84797363) is 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol is Oc1cc(CC2CCCNC2)cc2c1OCO2.
What is the InChIKey of 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol?
The InChIKey is IHJQYJYOXXYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-5-10(4-9-2-1-3-14-7-9)6-12-13(11)17-8-16-12/h5-6,9,14-15H,1-4,7-8H2.
What are the key properties of 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol?
6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol has a molecular weight of 235.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 84797363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).