(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine

C20H25N3 — CID 5415240

IUPAC(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
SMILESCc1ccc(CN2CCN(/N=C\c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H25N3/c1-17-8-9-20(18(2)14-17)16-22-10-12-23(13-11-22)21-15-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/b21-15-
InChIKeyPGAHVLXOZSYDAQ-QNGOZBTKSA-N
MW307.44 g/mol
LogP3.46
Rot. Bonds4

About (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine

(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine (PubChem CID 5415240) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
PubChem CID5415240
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
SMILESCc1ccc(CN2CCN(/N=C\c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H25N3/c1-17-8-9-20(18(2)14-17)16-22-10-12-23(13-11-22)21-15-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/b21-15-
InChIKeyPGAHVLXOZSYDAQ-QNGOZBTKSA-N
XLogP3.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.46
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)-1-(3-chlorophenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 5347583
2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 5074564
(E,Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6900705
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)methanimine
CID 879035
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(2-fluorophenyl)methanimine
CID 879090
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(4-ethoxyphenyl)methanimine
CID 1367450
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
CID 5393057
methyl 4-[(Z)-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]benzoate
CID 5435001
N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-(3-methylthiophen-2-yl)methanimine
CID 879250
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
2-[[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 1034070
1-(2,5-dimethoxyphenyl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]methanimine
CID 1369069

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine?
The IUPAC name of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine (CID 5415240) is (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine?
The canonical SMILES for (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine is Cc1ccc(CN2CCN(/N=C\c3ccccc3)CC2)c(C)c1.
What is the InChIKey of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine?
The InChIKey is PGAHVLXOZSYDAQ-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H25N3/c1-17-8-9-20(18(2)14-17)16-22-10-12-23(13-11-22)21-15-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/b21-15-.
What are the key properties of (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine?
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine has a molecular weight of 307.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 5415240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).