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

C17H26N2O3 — CID 82186562

IUPAC8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1cccc2c1OCC(N1CCN(CCO)CC1)C2O
InChIInChI=1S/C17H26N2O3/c1-2-13-4-3-5-14-16(21)15(12-22-17(13)14)19-8-6-18(7-9-19)10-11-20/h3-5,15-16,20-21H,2,6-12H2,1H3
InChIKeyMKKSRJBDGPHNDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.65
Rot. Bonds4

About 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol

8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82186562) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID82186562
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1cccc2c1OCC(N1CCN(CCO)CC1)C2O
InChIInChI=1S/C17H26N2O3/c1-2-13-4-3-5-14-16(21)15(12-22-17(13)14)19-8-6-18(7-9-19)10-11-20/h3-5,15-16,20-21H,2,6-12H2,1H3
InChIKeyMKKSRJBDGPHNDV-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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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol (CID 82186562) is 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol is CCc1cccc2c1OCC(N1CCN(CCO)CC1)C2O.
What is the InChIKey of 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is MKKSRJBDGPHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-13-4-3-5-14-16(21)15(12-22-17(13)14)19-8-6-18(7-9-19)10-11-20/h3-5,15-16,20-21H,2,6-12H2,1H3.
What are the key properties of 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol?
8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-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 8-ethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82186562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).