1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol

C16H26N4O2 — CID 123498204

IUPAC1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN(CC(O)N2CCOc3ccncc32)CC1
InChIInChI=1S/C16H26N4O2/c1-13(2)19-7-5-18(6-8-19)12-16(21)20-9-10-22-15-3-4-17-11-14(15)20/h3-4,11,13,16,21H,5-10,12H2,1-2H3
InChIKeyDPZZIKLESQJXDJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.62
Rot. Bonds4

About 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol

1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 123498204) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
PubChem CID123498204
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN(CC(O)N2CCOc3ccncc32)CC1
InChIInChI=1S/C16H26N4O2/c1-13(2)19-7-5-18(6-8-19)12-16(21)20-9-10-22-15-3-4-17-11-14(15)20/h3-4,11,13,16,21H,5-10,12H2,1-2H3
InChIKeyDPZZIKLESQJXDJ-UHFFFAOYSA-N
XLogP0.62
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol (CID 123498204) is 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol is CC(C)N1CCN(CC(O)N2CCOc3ccncc32)CC1.
What is the InChIKey of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The InChIKey is DPZZIKLESQJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(2)19-7-5-18(6-8-19)12-16(21)20-9-10-22-15-3-4-17-11-14(15)20/h3-4,11,13,16,21H,5-10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 306.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 123498204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).