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

C19H23ClN4O — CID 11325818

IUPAC(Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18-
InChIKeyRZGMDABPMIFSBV-PYCFMQQDSA-N
MW358.87 g/mol
LogP3.30
Rot. Bonds6

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

(Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11325818) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11325818
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name(Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18-
InChIKeyRZGMDABPMIFSBV-PYCFMQQDSA-N
XLogP3.30
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11325818) is (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1.
What is the InChIKey of (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is RZGMDABPMIFSBV-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-25-22-18(16-5-4-6-17(20)15-16)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19/h2-7,9,15H,8,10-14H2,1H3/b22-18-.
What are the key properties of (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 358.87 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11325818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).