(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine

C16H17ClN4 — CID 6861891

IUPAC(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
SMILESClc1ccc(N2CCN(/N=C/c3ccncc3)CC2)cc1
InChIInChI=1S/C16H17ClN4/c17-15-1-3-16(4-2-15)20-9-11-21(12-10-20)19-13-14-5-7-18-8-6-14/h1-8,13H,9-12H2/b19-13+
InChIKeyAAJNCMAXGCXPSF-CPNJWEJPSA-N
MW300.79 g/mol
LogP2.89
Rot. Bonds3

About (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine

(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine (PubChem CID 6861891) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
PubChem CID6861891
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
SMILESClc1ccc(N2CCN(/N=C/c3ccncc3)CC2)cc1
InChIInChI=1S/C16H17ClN4/c17-15-1-3-16(4-2-15)20-9-11-21(12-10-20)19-13-14-5-7-18-8-6-14/h1-8,13H,9-12H2/b19-13+
InChIKeyAAJNCMAXGCXPSF-CPNJWEJPSA-N
XLogP2.89
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
The IUPAC name of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine (CID 6861891) is (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine.
What is the SMILES notation for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
The canonical SMILES for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine is Clc1ccc(N2CCN(/N=C/c3ccncc3)CC2)cc1.
What is the InChIKey of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
The InChIKey is AAJNCMAXGCXPSF-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H17ClN4/c17-15-1-3-16(4-2-15)20-9-11-21(12-10-20)19-13-14-5-7-18-8-6-14/h1-8,13H,9-12H2/b19-13+.
What are the key properties of (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine has a molecular weight of 300.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 6861891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).