N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine

C17H26N2O — CID 23941482

IUPACN-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine
SMILESCOc1ccc(CC(C)=NN2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13(12-16-8-10-17(20-4)11-9-16)18-19-14(2)6-5-7-15(19)3/h8-11,14-15H,5-7,12H2,1-4H3
InChIKeyMJSUZZPMOSZUDF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.88
Rot. Bonds4

About N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine

N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine (PubChem CID 23941482) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine
PubChem CID23941482
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine
SMILESCOc1ccc(CC(C)=NN2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-13(12-16-8-10-17(20-4)11-9-16)18-19-14(2)6-5-7-15(19)3/h8-11,14-15H,5-7,12H2,1-4H3
InChIKeyMJSUZZPMOSZUDF-UHFFFAOYSA-N
XLogP3.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
2-(4-methoxyphenyl)-1-(2-methylcyclopentyl)ethanol
CID 107183403
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012708
9-[2-(4-methoxyphenyl)acetyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 134792842
1-(3,5-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 110292319
(3E)-3-hydroxyimino-4-(4-methoxyphenyl)butan-2-one
CID 162405653
[2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-4-methoxyphenyl]boronic acid
CID 104968437

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine (CID 23941482) is N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine is COc1ccc(CC(C)=NN2C(C)CCCC2C)cc1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine?
The InChIKey is MJSUZZPMOSZUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(12-16-8-10-17(20-4)11-9-16)18-19-14(2)6-5-7-15(19)3/h8-11,14-15H,5-7,12H2,1-4H3.
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine?
N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine has a molecular weight of 274.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-2-imine is sourced from PubChem (CID 23941482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).