4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol

C17H25NO2 — CID 82188387

IUPAC4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCC1CCCCN1C1c2cccc(C)c2OCC1O
InChIInChI=1S/C17H25NO2/c1-3-13-8-4-5-10-18(13)16-14-9-6-7-12(2)17(14)20-11-15(16)19/h6-7,9,13,15-16,19H,3-5,8,10-11H2,1-2H3
InChIKeyQBVJFVGHDZUOBF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.05
Rot. Bonds2

About 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol

4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188387) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188387
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCCC1CCCCN1C1c2cccc(C)c2OCC1O
InChIInChI=1S/C17H25NO2/c1-3-13-8-4-5-10-18(13)16-14-9-6-7-12(2)17(14)20-11-15(16)19/h6-7,9,13,15-16,19H,3-5,8,10-11H2,1-2H3
InChIKeyQBVJFVGHDZUOBF-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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Related Compounds

6-chloro-4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188618
8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188705
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188687
6-chloro-3-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82187006
8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188560
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82186639
3-(2-ethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 113365160
(4S)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 15420539
6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188627
8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188675
4-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 112546179

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol (CID 82188387) is 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol is CCC1CCCCN1C1c2cccc(C)c2OCC1O.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is QBVJFVGHDZUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-8-4-5-10-18(13)16-14-9-6-7-12(2)17(14)20-11-15(16)19/h6-7,9,13,15-16,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol?
4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-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 4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).