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

C18H28N2O2 — CID 82186664

IUPAC6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccc2c(c1)C(O)C(N(C)C1CCN(C)CC1)CO2
InChIInChI=1S/C18H28N2O2/c1-4-13-5-6-17-15(11-13)18(21)16(12-22-17)20(3)14-7-9-19(2)10-8-14/h5-6,11,14,16,18,21H,4,7-10,12H2,1-3H3
InChIKeyWRCAJPFVCTVZIL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.07
Rot. Bonds3

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

6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186664) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186664
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccc2c(c1)C(O)C(N(C)C1CCN(C)CC1)CO2
InChIInChI=1S/C18H28N2O2/c1-4-13-5-6-17-15(11-13)18(21)16(12-22-17)20(3)14-7-9-19(2)10-8-14/h5-6,11,14,16,18,21H,4,7-10,12H2,1-3H3
InChIKeyWRCAJPFVCTVZIL-UHFFFAOYSA-N
XLogP2.07
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837543
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid
CID 82186691
6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol
CID 82188452
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 21460973
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419981
(3S,4R)-4-[methyl-(1-methylpiperidin-4-yl)amino]oxolan-3-ol
CID 126846654
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
CID 177191064
2,3-dibromo-6,18-diethyl-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaene
CID 134885244
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol (CID 82186664) is 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol is CCc1ccc2c(c1)C(O)C(N(C)C1CCN(C)CC1)CO2.
What is the InChIKey of 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WRCAJPFVCTVZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-13-5-6-17-15(11-13)18(21)16(12-22-17)20(3)14-7-9-19(2)10-8-14/h5-6,11,14,16,18,21H,4,7-10,12H2,1-3H3.
What are the key properties of 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 304.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).