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

C17H26N2O3 — CID 82188452

IUPAC6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol
SMILESCCc1ccc2c(c1)C(N1CCN(CCO)CC1)C(O)CO2
InChIInChI=1S/C17H26N2O3/c1-2-13-3-4-16-14(11-13)17(15(21)12-22-16)19-7-5-18(6-8-19)9-10-20/h3-4,11,15,17,20-21H,2,5-10,12H2,1H3
InChIKeyYRHQQRUNNDMXJJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.65
Rot. Bonds4

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

6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188452) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188452
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol
SMILESCCc1ccc2c(c1)C(N1CCN(CCO)CC1)C(O)CO2
InChIInChI=1S/C17H26N2O3/c1-2-13-3-4-16-14(11-13)17(15(21)12-22-16)19-7-5-18(6-8-19)9-10-20/h3-4,11,15,17,20-21H,2,5-10,12H2,1H3
InChIKeyYRHQQRUNNDMXJJ-UHFFFAOYSA-N
XLogP0.65
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186929
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186664
6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188101
8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 82186562
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid
CID 82186691
1-(4-ethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 43844144
2-(5-ethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 21460973
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)methanamine
CID 84620756
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-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837543
4-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188367

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol (CID 82188452) is 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol is CCc1ccc2c(c1)C(N1CCN(CCO)CC1)C(O)CO2.
What is the InChIKey of 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is YRHQQRUNNDMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-13-3-4-16-14(11-13)17(15(21)12-22-16)19-7-5-18(6-8-19)9-10-20/h3-4,11,15,17,20-21H,2,5-10,12H2,1H3.
What are the key properties of 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol?
6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 306.41 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).