6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol

C17H25NO3 — CID 82187138

IUPAC6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N1CCCC(C)C1)CO2
InChIInChI=1S/C17H25NO3/c1-3-20-13-6-7-16-14(9-13)17(19)15(11-21-16)18-8-4-5-12(2)10-18/h6-7,9,12,15,17,19H,3-5,8,10-11H2,1-2H3
InChIKeyJTLPGOVXVRZRHR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.61
Rot. Bonds3

About 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol

6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82187138) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID82187138
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N1CCCC(C)C1)CO2
InChIInChI=1S/C17H25NO3/c1-3-20-13-6-7-16-14(9-13)17(19)15(11-21-16)18-8-4-5-12(2)10-18/h6-7,9,12,15,17,19H,3-5,8,10-11H2,1-2H3
InChIKeyJTLPGOVXVRZRHR-UHFFFAOYSA-N
XLogP2.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82187147
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186640
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid
CID 82186691
6-ethoxy-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-amine
CID 82626425
3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187139
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 806803
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (CID 82187138) is 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is CCOc1ccc2c(c1)C(O)C(N1CCCC(C)C1)CO2.
What is the InChIKey of 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JTLPGOVXVRZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-13-6-7-16-14(9-13)17(19)15(11-21-16)18-8-4-5-12(2)10-18/h6-7,9,12,15,17,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 291.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82187138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).