1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine

C17H26N2O2 — CID 23996321

IUPAC1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine
SMILESCOc1ccc(C(C)=NN2C(C)CCCC2C)cc1OC
InChIInChI=1S/C17H26N2O2/c1-12-7-6-8-13(2)19(12)18-14(3)15-9-10-16(20-4)17(11-15)21-5/h9-13H,6-8H2,1-5H3
InChIKeyJQRNJGCXMQNRHZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.69
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine

1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine (PubChem CID 23996321) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine
PubChem CID23996321
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine
SMILESCOc1ccc(C(C)=NN2C(C)CCCC2C)cc1OC
InChIInChI=1S/C17H26N2O2/c1-12-7-6-8-13(2)19(12)18-14(3)15-9-10-16(20-4)17(11-15)21-5/h9-13H,6-8H2,1-5H3
InChIKeyJQRNJGCXMQNRHZ-UHFFFAOYSA-N
XLogP3.69
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[N-(2,6-dimethylpiperidin-1-yl)-C-methylcarbonimidoyl]phenol
CID 135796063
(E)-1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethanimine
CID 43019174
(E)-1-(3,4-dimethoxyphenyl)-N-morpholin-4-ylethanimine
CID 75361321
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 9012674
N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77034344
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
4-[(E)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenol
CID 135692372
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine (CID 23996321) is 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine is COc1ccc(C(C)=NN2C(C)CCCC2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine?
The InChIKey is JQRNJGCXMQNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-6-8-13(2)19(12)18-14(3)15-9-10-16(20-4)17(11-15)21-5/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine?
1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine has a molecular weight of 290.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethanimine is sourced from PubChem (CID 23996321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).