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

C19H24N4O — CID 11163137

IUPAC(Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-24-21-18(17-7-3-2-4-8-17)10-12-22-13-15-23(16-14-22)19-9-5-6-11-20-19/h2-9,11H,10,12-16H2,1H3/b21-18-
InChIKeyXGPLYCXGOOHULQ-UZYVYHOESA-N
MW324.43 g/mol
LogP2.64
Rot. Bonds6

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

(Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11163137) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11163137
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-24-21-18(17-7-3-2-4-8-17)10-12-22-13-15-23(16-14-22)19-9-5-6-11-20-19/h2-9,11H,10,12-16H2,1H3/b21-18-
InChIKeyXGPLYCXGOOHULQ-UZYVYHOESA-N
XLogP2.64
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.64
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

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WZ 811
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(-)-Mirtazapine
CID 3085219
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Esmirtazapine
CID 3085218
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
4-Methyl-6-(2-(5-(4-Methylpiperazin-1-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057273
6-(2-(5-(3-(Dimethylamino)propyl)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119081689
3-Nitro-2-[4-(3-phenylprop-2-ynylidene)piperidin-1-yl]pyridine
CID 25183673
2-[4-[3-(3-Methylphenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
CID 87549991

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11163137) is (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is XGPLYCXGOOHULQ-UZYVYHOESA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-21-18(17-7-3-2-4-8-17)10-12-22-13-15-23(16-14-22)19-9-5-6-11-20-19/h2-9,11H,10,12-16H2,1H3/b21-18-.
What are the key properties of (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 324.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11163137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).