1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone

C14H17NO4 — CID 3228748

IUPAC1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H17NO4/c1-10(16)15-6-4-14(17,5-7-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,17H,4-7,9H2,1H3
InChIKeyLRHBWVKJFUBDAI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.25
Rot. Bonds1

About 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone

1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 3228748) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone
PubChem CID3228748
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H17NO4/c1-10(16)15-6-4-14(17,5-7-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,17H,4-7,9H2,1H3
InChIKeyLRHBWVKJFUBDAI-UHFFFAOYSA-N
XLogP1.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone (CID 3228748) is 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone is CC(=O)N1CCC(O)(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is LRHBWVKJFUBDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(16)15-6-4-14(17,5-7-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone?
1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 263.29 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 3228748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).