1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone

C17H24N2O3 — CID 82188508

IUPAC1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2c3cc(C)cc(C)c3OCC2O)CC1
InChIInChI=1S/C17H24N2O3/c1-11-8-12(2)17-14(9-11)16(15(21)10-22-17)19-6-4-18(5-7-19)13(3)20/h8-9,15-16,21H,4-7,10H2,1-3H3
InChIKeyHIZXWGCCKWRVHQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.26
Rot. Bonds1

About 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone

1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone (PubChem CID 82188508) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone
PubChem CID82188508
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2c3cc(C)cc(C)c3OCC2O)CC1
InChIInChI=1S/C17H24N2O3/c1-11-8-12(2)17-14(9-11)16(15(21)10-22-17)19-6-4-18(5-7-19)13(3)20/h8-9,15-16,21H,4-7,10H2,1-3H3
InChIKeyHIZXWGCCKWRVHQ-UHFFFAOYSA-N
XLogP1.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone (CID 82188508) is 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2c3cc(C)cc(C)c3OCC2O)CC1.
What is the InChIKey of 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone?
The InChIKey is HIZXWGCCKWRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-8-12(2)17-14(9-11)16(15(21)10-22-17)19-6-4-18(5-7-19)13(3)20/h8-9,15-16,21H,4-7,10H2,1-3H3.
What are the key properties of 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone?
1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 82188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).