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

C13H17NO3 — CID 83918973

IUPAC[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
SMILESOCC1CCNC(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C13H17NO3/c15-7-9-3-4-14-11(5-9)10-1-2-12-13(6-10)17-8-16-12/h1-2,6,9,11,14-15H,3-5,7-8H2
InChIKeyLIYDNZKXWQOYCM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.45
Rot. Bonds2

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

[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol (PubChem CID 83918973) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
PubChem CID83918973
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
SMILESOCC1CCNC(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C13H17NO3/c15-7-9-3-4-14-11(5-9)10-1-2-12-13(6-10)17-8-16-12/h1-2,6,9,11,14-15H,3-5,7-8H2
InChIKeyLIYDNZKXWQOYCM-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol (CID 83918973) is [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol is OCC1CCNC(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
The InChIKey is LIYDNZKXWQOYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-7-9-3-4-14-11(5-9)10-1-2-12-13(6-10)17-8-16-12/h1-2,6,9,11,14-15H,3-5,7-8H2.
What are the key properties of [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol has a molecular weight of 235.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 83918973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).