6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one

C13H16N2O2 — CID 129014061

IUPAC6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
SMILESO=C1c2cc(O)ccc2CN1C1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-11-2-1-9-8-15(13(17)12(9)7-11)10-3-5-14-6-4-10/h1-2,7,10,14,16H,3-6,8H2
InChIKeyDUWLSMKOVGAKNN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.10
Rot. Bonds1

About 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one

6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one (PubChem CID 129014061) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
PubChem CID129014061
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
SMILESO=C1c2cc(O)ccc2CN1C1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-11-2-1-9-8-15(13(17)12(9)7-11)10-3-5-14-6-4-10/h1-2,7,10,14,16H,3-6,8H2
InChIKeyDUWLSMKOVGAKNN-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one?
The IUPAC name of 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one (CID 129014061) is 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one.
What is the SMILES notation for 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one?
The canonical SMILES for 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one is O=C1c2cc(O)ccc2CN1C1CCNCC1.
What is the InChIKey of 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one?
The InChIKey is DUWLSMKOVGAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-2-1-9-8-15(13(17)12(9)7-11)10-3-5-14-6-4-10/h1-2,7,10,14,16H,3-6,8H2.
What are the key properties of 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one?
6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one has a molecular weight of 232.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one is sourced from PubChem (CID 129014061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).