(Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine

C18H20ClN3 — CID 6024809

IUPAC(Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
SMILESC/C(=N/N1CCN(c2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H20ClN3/c1-15(17-9-5-6-10-18(17)19)20-22-13-11-21(12-14-22)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3/b20-15-
InChIKeyLBIKVUIQXLCMSG-HKWRFOASSA-N
MW313.83 g/mol
LogP3.89
Rot. Bonds3

About (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine

(Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine (PubChem CID 6024809) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name(Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
PubChem CID6024809
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name(Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
SMILESC/C(=N/N1CCN(c2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H20ClN3/c1-15(17-9-5-6-10-18(17)19)20-22-13-11-21(12-14-22)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3/b20-15-
InChIKeyLBIKVUIQXLCMSG-HKWRFOASSA-N
XLogP3.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The IUPAC name of (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine (CID 6024809) is (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine.
What is the SMILES notation for (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The canonical SMILES for (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine is C/C(=N/N1CCN(c2ccccc2)CC1)c1ccccc1Cl.
What is the InChIKey of (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The InChIKey is LBIKVUIQXLCMSG-HKWRFOASSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-15(17-9-5-6-10-18(17)19)20-22-13-11-21(12-14-22)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3/b20-15-.
What are the key properties of (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
(Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine has a molecular weight of 313.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chlorophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 6024809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).