4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol

C17H25NO2 — CID 107912816

IUPAC4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCN1CCCCC1CCOc1cccc2c1CCC2O
InChIInChI=1S/C17H25NO2/c1-18-11-3-2-5-13(18)10-12-20-17-7-4-6-14-15(17)8-9-16(14)19/h4,6-7,13,16,19H,2-3,5,8-12H2,1H3
InChIKeyLFENVHPDQANFCV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.92
Rot. Bonds4

About 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol

4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107912816) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107912816
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCN1CCCCC1CCOc1cccc2c1CCC2O
InChIInChI=1S/C17H25NO2/c1-18-11-3-2-5-13(18)10-12-20-17-7-4-6-14-15(17)8-9-16(14)19/h4,6-7,13,16,19H,2-3,5,8-12H2,1H3
InChIKeyLFENVHPDQANFCV-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol (CID 107912816) is 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol is CN1CCCCC1CCOc1cccc2c1CCC2O.
What is the InChIKey of 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LFENVHPDQANFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-11-3-2-5-13(18)10-12-20-17-7-4-6-14-15(17)8-9-16(14)19/h4,6-7,13,16,19H,2-3,5,8-12H2,1H3.
What are the key properties of 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol?
4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107912816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).