6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one

C15H20N2O3 — CID 82216271

IUPAC6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(O)CN3CCCCC3)cc2N1
InChIInChI=1S/C15H20N2O3/c18-13(9-17-6-2-1-3-7-17)11-4-5-14-12(8-11)16-15(19)10-20-14/h4-5,8,13,18H,1-3,6-7,9-10H2,(H,16,19)
InChIKeyALYPANYTFMYVRU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds3

About 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one

6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 82216271) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
PubChem CID82216271
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(O)CN3CCCCC3)cc2N1
InChIInChI=1S/C15H20N2O3/c18-13(9-17-6-2-1-3-7-17)11-4-5-14-12(8-11)16-15(19)10-20-14/h4-5,8,13,18H,1-3,6-7,9-10H2,(H,16,19)
InChIKeyALYPANYTFMYVRU-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-hydroxy-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 82216259
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[1-(2-pyrrolidin-1-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43203429
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 171868946
6-[(1S)-1-amino-2-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 66514510
6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 82216264
6-[(3,5-dichlorophenyl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 61082606
6-[1-(dimethylamino)-2-sulfanylethyl]-4H-1,4-benzoxazin-3-one
CID 116908828
6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 59802876
6-[(5-bromothiophen-3-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 107964195

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one (CID 82216271) is 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C(O)CN3CCCCC3)cc2N1.
What is the InChIKey of 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is ALYPANYTFMYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13(9-17-6-2-1-3-7-17)11-4-5-14-12(8-11)16-15(19)10-20-14/h4-5,8,13,18H,1-3,6-7,9-10H2,(H,16,19).
What are the key properties of 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82216271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).