(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride

C18H21Cl2N3 — CID 44723931

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride
SMILESCl.Clc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClN3.ClH/c19-18-9-5-4-8-17(18)14-20-22-12-10-21(11-13-22)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2;1H/b20-14+;
InChIKeyDHEALLPFAFQXLX-RANVTSCRSA-N
MW350.29 g/mol
LogP3.91
Rot. Bonds4

About (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride

(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride (PubChem CID 44723931) has the molecular formula C18H21Cl2N3 and a molecular weight of 350.29 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride
PubChem CID44723931
Molecular FormulaC18H21Cl2N3
Molecular Weight350.29 g/mol
Exact Mass349.11
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride
SMILESCl.Clc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20ClN3.ClH/c19-18-9-5-4-8-17(18)14-20-22-12-10-21(11-13-22)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2;1H/b20-14+;
InChIKeyDHEALLPFAFQXLX-RANVTSCRSA-N
XLogP3.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride (CID 44723931) is (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride is Cl.Clc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride?
The InChIKey is DHEALLPFAFQXLX-RANVTSCRSA-N. The full InChI is InChI=1S/C18H20ClN3.ClH/c19-18-9-5-4-8-17(18)14-20-22-12-10-21(11-13-22)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2;1H/b20-14+;.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride?
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride has a molecular weight of 350.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)methanimine;hydrochloride is sourced from PubChem (CID 44723931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).