1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine

C13H18ClN3 — CID 134097917

IUPAC1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine
SMILESClc1ccc(/C=N/CCN2CCNCC2)cc1
InChIInChI=1S/C13H18ClN3/c14-13-3-1-12(2-4-13)11-16-7-10-17-8-5-15-6-9-17/h1-4,11,15H,5-10H2/b16-11+
InChIKeyKENRLBHFBQBCAJ-LFIBNONCSA-N
MW251.76 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine

1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine (PubChem CID 134097917) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine
PubChem CID134097917
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine
SMILESClc1ccc(/C=N/CCN2CCNCC2)cc1
InChIInChI=1S/C13H18ClN3/c14-13-3-1-12(2-4-13)11-16-7-10-17-8-5-15-6-9-17/h1-4,11,15H,5-10H2/b16-11+
InChIKeyKENRLBHFBQBCAJ-LFIBNONCSA-N
XLogP1.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135659262
[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 2822210
4-bromo-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135734228
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
nickel(2+);2-(2-piperazin-1-ylethyliminomethyl)phenolate;tetraphenylboranuide
CID 139130919
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[3-(4-chlorophenoxy)-3-methylbutyl]piperazine
CID 139639269
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
CID 10683004

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine (CID 134097917) is 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine is Clc1ccc(/C=N/CCN2CCNCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine?
The InChIKey is KENRLBHFBQBCAJ-LFIBNONCSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-13-3-1-12(2-4-13)11-16-7-10-17-8-5-15-6-9-17/h1-4,11,15H,5-10H2/b16-11+.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine?
1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine has a molecular weight of 251.76 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)methanimine is sourced from PubChem (CID 134097917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).