N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine

C19H23N3 — CID 726928

IUPACN-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3/c1-17-7-9-18(10-8-17)15-20-22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
InChIKeyPDLFBOJFVSJZHB-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds4

About N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine

N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine (PubChem CID 726928) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
PubChem CID726928
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3/c1-17-7-9-18(10-8-17)15-20-22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
InChIKeyPDLFBOJFVSJZHB-UHFFFAOYSA-N
XLogP3.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
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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Related Compounds

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
CID 1110798
N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
CID 2868959
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
CID 5415240
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
The IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine (CID 726928) is N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine is Cc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
The InChIKey is PDLFBOJFVSJZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-17-7-9-18(10-8-17)15-20-22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3.
What are the key properties of N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine has a molecular weight of 293.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).