methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde

C15H24N4O2 — CID 143675847

IUPACmethanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde
SMILESCO.[H]/N=C(/c1cc(C=O)ccc1NC)N1CCN(C)CC1
InChIInChI=1S/C14H20N4O.CH4O/c1-16-13-4-3-11(10-19)9-12(13)14(15)18-7-5-17(2)6-8-18;1-2/h3-4,9-10,15-16H,5-8H2,1-2H3;2H,1H3/b15-14-;
InChIKeyDCAGWKFPIQDEIH-BGWNKZQTSA-N
MW292.38 g/mol
LogP0.72
Rot. Bonds3

About methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde

methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde (PubChem CID 143675847) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde.

Molecular Properties

Compound Namemethanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde
PubChem CID143675847
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namemethanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde
SMILESCO.[H]/N=C(/c1cc(C=O)ccc1NC)N1CCN(C)CC1
InChIInChI=1S/C14H20N4O.CH4O/c1-16-13-4-3-11(10-19)9-12(13)14(15)18-7-5-17(2)6-8-18;1-2/h3-4,9-10,15-16H,5-8H2,1-2H3;2H,1H3/b15-14-;
InChIKeyDCAGWKFPIQDEIH-BGWNKZQTSA-N
XLogP0.72
TPSA79.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-ethanimidoyl-4-(methylamino)benzaldehyde
CID 171520476
(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
CID 63179139
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline
CID 143187192
(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine
CID 63840277
5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine
CID 89219183
4-(4-methylpiperazine-1-carboximidoyl)-2-nitrophenol
CID 135965166
2-(cyclopentylamino)-5-formylbenzoic acid
CID 22467381
[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 55163246
2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde
CID 78427354
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde
CID 107689650
[2-fluoro-5-(methyliminomethyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 137412313
1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
CID 55158441

Frequently Asked Questions

What is the IUPAC name of methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde?
The IUPAC name of methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde (CID 143675847) is methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde.
What is the SMILES notation for methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde?
The canonical SMILES for methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde is CO.[H]/N=C(/c1cc(C=O)ccc1NC)N1CCN(C)CC1.
What is the InChIKey of methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde?
The InChIKey is DCAGWKFPIQDEIH-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H20N4O.CH4O/c1-16-13-4-3-11(10-19)9-12(13)14(15)18-7-5-17(2)6-8-18;1-2/h3-4,9-10,15-16H,5-8H2,1-2H3;2H,1H3/b15-14-;.
What are the key properties of methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde?
methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde has a molecular weight of 292.38 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde is sourced from PubChem (CID 143675847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).