2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol

C16H23NO3 — CID 86814537

IUPAC2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
SMILESOCCOC1CCCN(C2Cc3ccccc3C2O)C1
InChIInChI=1S/C16H23NO3/c18-8-9-20-13-5-3-7-17(11-13)15-10-12-4-1-2-6-14(12)16(15)19/h1-2,4,6,13,15-16,18-19H,3,5,7-11H2
InChIKeyHUNUDVAKSCQCDI-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.12
Rot. Bonds4

About 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol

2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 86814537) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
PubChem CID86814537
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
SMILESOCCOC1CCCN(C2Cc3ccccc3C2O)C1
InChIInChI=1S/C16H23NO3/c18-8-9-20-13-5-3-7-17(11-13)15-10-12-4-1-2-6-14(12)16(15)19/h1-2,4,6,13,15-16,18-19H,3,5,7-11H2
InChIKeyHUNUDVAKSCQCDI-UHFFFAOYSA-N
XLogP1.12
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol (CID 86814537) is 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol is OCCOC1CCCN(C2Cc3ccccc3C2O)C1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is HUNUDVAKSCQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-8-9-20-13-5-3-7-17(11-13)15-10-12-4-1-2-6-14(12)16(15)19/h1-2,4,6,13,15-16,18-19H,3,5,7-11H2.
What are the key properties of 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol?
2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 277.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 86814537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).