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

C16H23NO2 — CID 82186640

IUPAC6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)C(N1CCCC(C)C1)CO2
InChIInChI=1S/C16H23NO2/c1-11-5-6-15-13(8-11)16(18)14(10-19-15)17-7-3-4-12(2)9-17/h5-6,8,12,14,16,18H,3-4,7,9-10H2,1-2H3
InChIKeyWBOQGISQNYYWMZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds1

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

6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186640) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186640
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCc1ccc2c(c1)C(O)C(N1CCCC(C)C1)CO2
InChIInChI=1S/C16H23NO2/c1-11-5-6-15-13(8-11)16(18)14(10-19-15)17-7-3-4-12(2)9-17/h5-6,8,12,14,16,18H,3-4,7,9-10H2,1-2H3
InChIKeyWBOQGISQNYYWMZ-UHFFFAOYSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82187138
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299
3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82186639
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959
3-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82186650
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367
4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 82187147
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939
2-[(4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-3-yl)-methylamino]acetic acid
CID 82186631

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol (CID 82186640) is 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is Cc1ccc2c(c1)C(O)C(N1CCCC(C)C1)CO2.
What is the InChIKey of 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WBOQGISQNYYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-6-15-13(8-11)16(18)14(10-19-15)17-7-3-4-12(2)9-17/h5-6,8,12,14,16,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol?
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 261.37 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).