5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol

C17H25NO2 — CID 82186828

IUPAC5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)c2c(c1)OCC(N1CCCCC1C)C2O
InChIInChI=1S/C17H25NO2/c1-11-8-12(2)16-15(9-11)20-10-14(17(16)19)18-7-5-4-6-13(18)3/h8-9,13-14,17,19H,4-7,10H2,1-3H3
InChIKeyXGEQKDMYWXFGLV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.97
Rot. Bonds1

About 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol

5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186828) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186828
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)c2c(c1)OCC(N1CCCCC1C)C2O
InChIInChI=1S/C17H25NO2/c1-11-8-12(2)16-15(9-11)20-10-14(17(16)19)18-7-5-4-6-13(18)3/h8-9,13-14,17,19H,4-7,10H2,1-3H3
InChIKeyXGEQKDMYWXFGLV-UHFFFAOYSA-N
XLogP2.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (CID 82186828) is 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1cc(C)c2c(c1)OCC(N1CCCCC1C)C2O.
What is the InChIKey of 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XGEQKDMYWXFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-8-12(2)16-15(9-11)20-10-14(17(16)19)18-7-5-4-6-13(18)3/h8-9,13-14,17,19H,4-7,10H2,1-3H3.
What are the key properties of 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).