(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine

C13H19N3 — CID 63179139

IUPAC(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)N1CCN(C)CC1
InChIInChI=1S/C13H19N3/c1-11-3-5-12(6-4-11)13(14)16-9-7-15(2)8-10-16/h3-6,14H,7-10H2,1-2H3/b14-13+
InChIKeyFUJUXRQKZFKGER-BUHFOSPRSA-N
MW217.32 g/mol
LogP1.57
Rot. Bonds1

About (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine

(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine (PubChem CID 63179139) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
PubChem CID63179139
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)N1CCN(C)CC1
InChIInChI=1S/C13H19N3/c1-11-3-5-12(6-4-11)13(14)16-9-7-15(2)8-10-16/h3-6,14H,7-10H2,1-2H3/b14-13+
InChIKeyFUJUXRQKZFKGER-BUHFOSPRSA-N
XLogP1.57
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine
CID 91316469
(4-methylpiperazin-1-yl)-(4-methyl-2-pyridinyl)methanimine
CID 63840277
4-(4-methylpiperazine-1-carboximidoyl)-2-nitrophenol
CID 135965166
(4-methylpiperazin-1-yl)-(6-methyl-2-pyridinyl)methanimine
CID 63555290
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanimine
CID 135965162
1-benzofuran-2-yl-(4-methylpiperazin-1-yl)methanimine
CID 55158441
2-[6-[[4-(4-methylpiperazine-1-carboximidoyl)phenyl]carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 70089085
[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine
CID 63172944
(3,4-dimethylpiperazin-1-yl)-phenylmethanimine
CID 63603767
2-[4-[[3-[4-(4-methylpiperazine-1-carboximidoyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-1-yl]acetic acid
CID 70120912

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine (CID 63179139) is (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(\c1ccc(C)cc1)N1CCN(C)CC1.
What is the InChIKey of (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is FUJUXRQKZFKGER-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-3-5-12(6-4-11)13(14)16-9-7-15(2)8-10-16/h3-6,14H,7-10H2,1-2H3/b14-13+.
What are the key properties of (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine?
(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 217.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 63179139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).