3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

C17H25NO2 — CID 82186639

IUPAC3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCC1CCCCN1C1COc2ccc(C)cc2C1O
InChIInChI=1S/C17H25NO2/c1-3-13-6-4-5-9-18(13)15-11-20-16-8-7-12(2)10-14(16)17(15)19/h7-8,10,13,15,17,19H,3-6,9,11H2,1-2H3
InChIKeyYGNSEFIJLZYMKW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.05
Rot. Bonds2

About 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol

3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186639) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186639
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCC1CCCCN1C1COc2ccc(C)cc2C1O
InChIInChI=1S/C17H25NO2/c1-3-13-6-4-5-9-18(13)15-11-20-16-8-7-12(2)10-14(16)17(15)19/h7-8,10,13,15,17,19H,3-6,9,11H2,1-2H3
InChIKeyYGNSEFIJLZYMKW-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 82186639) is 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is CCC1CCCCN1C1COc2ccc(C)cc2C1O.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YGNSEFIJLZYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-6-4-5-9-18(13)15-11-20-16-8-7-12(2)10-14(16)17(15)19/h7-8,10,13,15,17,19H,3-6,9,11H2,1-2H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol?
3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 275.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).