N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C20H26N4O — CID 72966378

IUPACN-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1C
InChIInChI=1S/C20H26N4O/c1-17-7-3-4-8-18(17)19(22-25-2)10-12-23-13-15-24(16-14-23)20-9-5-6-11-21-20/h3-9,11H,10,12-16H2,1-2H3
InChIKeyRCSRPVRMQQOAEC-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.95
Rot. Bonds6

About N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 72966378) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID72966378
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1C
InChIInChI=1S/C20H26N4O/c1-17-7-3-4-8-18(17)19(22-25-2)10-12-23-13-15-24(16-14-23)20-9-5-6-11-21-20/h3-9,11H,10,12-16H2,1-2H3
InChIKeyRCSRPVRMQQOAEC-UHFFFAOYSA-N
XLogP2.95
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11221906
(Z)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11416883
2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 57440114
2-[(E)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 11849229
2-[[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 73125422
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 72966378) is N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CON=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1C.
What is the InChIKey of N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is RCSRPVRMQQOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-17-7-3-4-8-18(17)19(22-25-2)10-12-23-13-15-24(16-14-23)20-9-5-6-11-21-20/h3-9,11H,10,12-16H2,1-2H3.
What are the key properties of N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 338.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 72966378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).