1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid

C23H27N3O6 — CID 18560646

IUPAC1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid
SMILESCN1CCN(CC(O)CON=C2c3ccccc3-c3ccccc32)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H25N3O2.C2H2O4/c1-23-10-12-24(13-11-23)14-16(25)15-26-22-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;3-1(4)2(5)6/h2-9,16,25H,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyINJZZJKSZFOFAX-UHFFFAOYSA-N
MW441.48 g/mol
LogP1.20
Rot. Bonds5

About 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid

1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid (PubChem CID 18560646) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid
PubChem CID18560646
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid
SMILESCN1CCN(CC(O)CON=C2c3ccccc3-c3ccccc32)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H25N3O2.C2H2O4/c1-23-10-12-24(13-11-23)14-16(25)15-26-22-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;3-1(4)2(5)6/h2-9,16,25H,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKeyINJZZJKSZFOFAX-UHFFFAOYSA-N
XLogP1.20
TPSA122.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 7730826
1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 16798753
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
1-(3,5-dimethylpiperidin-1-yl)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 16896476
(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730801
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 7165470
(2S)-2-[[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]azaniumyl]propanoate
CID 2147181
1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 13273131

Frequently Asked Questions

What is the IUPAC name of 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid?
The IUPAC name of 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid (CID 18560646) is 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid.
What is the SMILES notation for 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid?
The canonical SMILES for 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid is CN1CCN(CC(O)CON=C2c3ccccc3-c3ccccc32)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid?
The InChIKey is INJZZJKSZFOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.C2H2O4/c1-23-10-12-24(13-11-23)14-16(25)15-26-22-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;3-1(4)2(5)6/h2-9,16,25H,10-15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid?
1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid has a molecular weight of 441.48 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoren-9-ylideneamino)oxy-3-(4-methylpiperazin-1-yl)propan-2-ol;oxalic acid is sourced from PubChem (CID 18560646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).