4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol

C15H21NO2 — CID 13423979

IUPAC4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol
SMILESOC1(COc2cccc3c2CCC3)CCNCC1
InChIInChI=1S/C15H21NO2/c17-15(7-9-16-10-8-15)11-18-14-6-2-4-12-3-1-5-13(12)14/h2,4,6,16-17H,1,3,5,7-11H2
InChIKeyHUEULOSVRLJBKG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.67
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol

4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol (PubChem CID 13423979) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol
PubChem CID13423979
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol
SMILESOC1(COc2cccc3c2CCC3)CCNCC1
InChIInChI=1S/C15H21NO2/c17-15(7-9-16-10-8-15)11-18-14-6-2-4-12-3-1-5-13(12)14/h2,4,6,16-17H,1,3,5,7-11H2
InChIKeyHUEULOSVRLJBKG-UHFFFAOYSA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol?
The IUPAC name of 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol (CID 13423979) is 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol is OC1(COc2cccc3c2CCC3)CCNCC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol?
The InChIKey is HUEULOSVRLJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(7-9-16-10-8-15)11-18-14-6-2-4-12-3-1-5-13(12)14/h2,4,6,16-17H,1,3,5,7-11H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol?
4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol has a molecular weight of 247.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol is sourced from PubChem (CID 13423979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).