(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine

C17H26N2O3 — CID 9012658

IUPAC(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N\N2[C@@H](C)CCC[C@@H]2C)c(OC)c1
InChIInChI=1S/C17H26N2O3/c1-12-7-6-8-13(2)19(12)18-11-15-16(21-4)9-14(20-3)10-17(15)22-5/h9-13H,6-8H2,1-5H3/b18-11-/t12-,13-/m0/s1
InChIKeyRCVPAWGZRIGIQG-PWONOCEESA-N
MW306.41 g/mol
LogP3.31
Rot. Bonds5

About (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine

(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine (PubChem CID 9012658) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
PubChem CID9012658
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N\N2[C@@H](C)CCC[C@@H]2C)c(OC)c1
InChIInChI=1S/C17H26N2O3/c1-12-7-6-8-13(2)19(12)18-11-15-16(21-4)9-14(20-3)10-17(15)22-5/h9-13H,6-8H2,1-5H3/b18-11-/t12-,13-/m0/s1
InChIKeyRCVPAWGZRIGIQG-PWONOCEESA-N
XLogP3.31
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
(Z)-1-(4,5-dimethoxy-2-nitrophenyl)-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012469
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012708
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674
N-(2,6-dimethylpiperidin-1-yl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 23878734
[(2,4,6-trimethoxyphenyl)methylideneamino] cyclopropanecarboxylate
CID 85273118
CID 101022784
CID 101022784
(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
CID 163366457

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine (CID 9012658) is (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine is COc1cc(OC)c(/C=N\N2[C@@H](C)CCC[C@@H]2C)c(OC)c1.
What is the InChIKey of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
The InChIKey is RCVPAWGZRIGIQG-PWONOCEESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-7-6-8-13(2)19(12)18-11-15-16(21-4)9-14(20-3)10-17(15)22-5/h9-13H,6-8H2,1-5H3/b18-11-/t12-,13-/m0/s1.
What are the key properties of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine?
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine has a molecular weight of 306.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine is sourced from PubChem (CID 9012658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).