3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol

C17H25NO3 — CID 82186650

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)C(N1CCCCC1CCO)CO2
InChIInChI=1S/C17H25NO3/c1-12-5-6-16-14(10-12)17(20)15(11-21-16)18-8-3-2-4-13(18)7-9-19/h5-6,10,13,15,17,19-20H,2-4,7-9,11H2,1H3
InChIKeyWDKDETZRFUSPOZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.03
Rot. Bonds3

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol

3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186650) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186650
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)C(N1CCCCC1CCO)CO2
InChIInChI=1S/C17H25NO3/c1-12-5-6-16-14(10-12)17(20)15(11-21-16)18-8-3-2-4-13(18)7-9-19/h5-6,10,13,15,17,19-20H,2-4,7-9,11H2,1H3
InChIKeyWDKDETZRFUSPOZ-UHFFFAOYSA-N
XLogP2.03
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82186639
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186640
6-chloro-3-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82187006
(3R)-1-(2,5-dimethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 40771838
(3R)-1-(2,5-dimethylphenyl)-3-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 124833973
5,7-dimethyl-3-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186828
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
(3S)-1-(4-ethylphenyl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 6354366
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 4894678
6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82187147
6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186929
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol (CID 82186650) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)C(N1CCCCC1CCO)CO2.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WDKDETZRFUSPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-5-6-16-14(10-12)17(20)15(11-21-16)18-8-3-2-4-13(18)7-9-19/h5-6,10,13,15,17,19-20H,2-4,7-9,11H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 291.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).