2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane

C16H22N2O4 — CID 166469610

IUPAC2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
SMILESCC.CN(Cc1cc(O)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4.C2H6/c1-16(12-4-5-13(19)15-14(12)20)7-10-6-11(18)3-2-9(10)8-17;1-2/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,15,19,20);1-2H3
InChIKeyIJRUYUOQIDEECB-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.47
Rot. Bonds4

About 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane

2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane (PubChem CID 166469610) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane.

Molecular Properties

Compound Name2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
PubChem CID166469610
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
SMILESCC.CN(Cc1cc(O)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4.C2H6/c1-16(12-4-5-13(19)15-14(12)20)7-10-6-11(18)3-2-9(10)8-17;1-2/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,15,19,20);1-2H3
InChIKeyIJRUYUOQIDEECB-UHFFFAOYSA-N
XLogP1.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
3-[2-[2-[3-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]propoxy]ethoxy]ethoxy]propanoic acid
CID 167469905
N-[[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]methyl]-3-(2-hydroxyphenyl)prop-2-ynamide
CID 167288448
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
6-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-1,3-dihydroisoindole-5-carbaldehyde
CID 156709745
tert-butyl 4-[4-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 172590476
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-[3-[3-(3-hydroxypropoxy)propoxy]azetidin-1-yl]benzaldehyde
CID 142365328
N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
CID 153393794
1-[3-(8-aminooctyl)-5-chlorophenyl]-3-[[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]methyl]urea
CID 166148371
4-[[4-[[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-methylamino]methyl]phenyl]methylsulfanyl]-2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]benzaldehyde
CID 166921276
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
CID 130431885
5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one
CID 170102732

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane?
The IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane (CID 166469610) is 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane.
What is the SMILES notation for 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane?
The canonical SMILES for 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane is CC.CN(Cc1cc(O)ccc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane?
The InChIKey is IJRUYUOQIDEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4.C2H6/c1-16(12-4-5-13(19)15-14(12)20)7-10-6-11(18)3-2-9(10)8-17;1-2/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,15,19,20);1-2H3.
What are the key properties of 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane?
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane has a molecular weight of 306.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane is sourced from PubChem (CID 166469610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).