(E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine

C18H19ClN4 — CID 6861860

IUPAC(E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine
SMILESClC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19ClN4/c19-17(14-16-6-2-1-3-7-16)15-21-23-12-10-22(11-13-23)18-8-4-5-9-20-18/h1-9,14-15H,10-13H2/b17-14-,21-15+
InChIKeyDIVHNASUCKLCEI-WANMUPLOSA-N
MW326.83 g/mol
LogP3.47
Rot. Bonds4

About (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine

(E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine (PubChem CID 6861860) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine
PubChem CID6861860
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name(E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine
SMILESClC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19ClN4/c19-17(14-16-6-2-1-3-7-16)15-21-23-12-10-22(11-13-23)18-8-4-5-9-20-18/h1-9,14-15H,10-13H2/b17-14-,21-15+
InChIKeyDIVHNASUCKLCEI-WANMUPLOSA-N
XLogP3.47
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
The IUPAC name of (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine (CID 6861860) is (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
The canonical SMILES for (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine is ClC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1.
What is the InChIKey of (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
The InChIKey is DIVHNASUCKLCEI-WANMUPLOSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-17(14-16-6-2-1-3-7-16)15-21-23-12-10-22(11-13-23)18-8-4-5-9-20-18/h1-9,14-15H,10-13H2/b17-14-,21-15+.
What are the key properties of (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine?
(E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine has a molecular weight of 326.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-2-chloro-3-phenyl-N-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 6861860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).