(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine

C16H23N3O4 — CID 9012469

IUPAC(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCOc1cc(/C=N\N2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H23N3O4/c1-11-6-5-7-12(2)18(11)17-10-13-8-15(22-3)16(23-4)9-14(13)19(20)21/h8-12H,5-7H2,1-4H3/b17-10-/t11-,12-/m1/s1
InChIKeyNNEOEDJKTQUJSJ-RISRJPFHSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds5

About (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine

(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine (PubChem CID 9012469) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
PubChem CID9012469
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCOc1cc(/C=N\N2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H23N3O4/c1-11-6-5-7-12(2)18(11)17-10-13-8-15(22-3)16(23-4)9-14(13)19(20)21/h8-12H,5-7H2,1-4H3/b17-10-/t11-,12-/m1/s1
InChIKeyNNEOEDJKTQUJSJ-RISRJPFHSA-N
XLogP3.21
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,6S,7R)-4-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7457887
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
(1R,6R,7S)-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 11917279
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7353856
3-tert-butyl-4-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9411766
2-cyclopentylimino-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136577262
3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enal
CID 54315550
4-(2-cyclopropyl-2-oxoethoxy)-5-methoxy-2-nitrobenzaldehyde
CID 63905654
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 9076217
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The IUPAC name of (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine (CID 9012469) is (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The canonical SMILES for (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine is COc1cc(/C=N\N2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The InChIKey is NNEOEDJKTQUJSJ-RISRJPFHSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-6-5-7-12(2)18(11)17-10-13-8-15(22-3)16(23-4)9-14(13)19(20)21/h8-12H,5-7H2,1-4H3/b17-10-/t11-,12-/m1/s1.
What are the key properties of (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine has a molecular weight of 321.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine is sourced from PubChem (CID 9012469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).