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

C16H17ClN4 — CID 696895

IUPACN-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
SMILESClc1ccc(N2CCN(N=Cc3ccncc3)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
InChIKeyAAJNCMAXGCXPSF-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.89
Rot. Bonds3

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

N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine (PubChem CID 696895) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
PubChem CID696895
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC NameN-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine
SMILESClc1ccc(N2CCN(N=Cc3ccncc3)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
InChIKeyAAJNCMAXGCXPSF-UHFFFAOYSA-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 N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
The IUPAC name of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine (CID 696895) is N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine is Clc1ccc(N2CCN(N=Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
The InChIKey is AAJNCMAXGCXPSF-UHFFFAOYSA-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.
What are the key properties of N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine?
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 N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 696895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).