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

C16H25N3 — CID 91316469

IUPAC(4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)N1CCN(CCCC)CC1
InChIInChI=1S/C16H25N3/c1-3-4-9-18-10-12-19(13-11-18)16(17)15-7-5-14(2)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3/b17-16+
InChIKeyIUSLFINNXDHGMF-WUKNDPDISA-N
MW259.40 g/mol
LogP2.74
Rot. Bonds4

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

(4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine (PubChem CID 91316469) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine
PubChem CID91316469
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)N1CCN(CCCC)CC1
InChIInChI=1S/C16H25N3/c1-3-4-9-18-10-12-19(13-11-18)16(17)15-7-5-14(2)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3/b17-16+
InChIKeyIUSLFINNXDHGMF-WUKNDPDISA-N
XLogP2.74
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.74
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-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
CID 63179139
[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-phenylmethanimine
CID 23468688
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
1-[3-(4-butylpiperazine-1-carboximidoyl)phenyl]-3-[4-(methylsulfamoyl)phenyl]urea
CID 46851984
[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine
CID 63172944
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
CID 10779884
1-[3-(4-butylpiperazine-1-carboximidoyl)phenyl]-3-(2-propyl-4-sulfamoylphenyl)urea
CID 142788696
4-[(4-butylpiperazin-1-yl)methyl]benzoic acid
CID 20795311
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
[4-(3-phenylpropyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanimine;dihydrochloride
CID 23468673

Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine?
The IUPAC name of (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine (CID 91316469) is (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine.
What is the SMILES notation for (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine?
The canonical SMILES for (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine is [H]/N=C(\c1ccc(C)cc1)N1CCN(CCCC)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine?
The InChIKey is IUSLFINNXDHGMF-WUKNDPDISA-N. The full InChI is InChI=1S/C16H25N3/c1-3-4-9-18-10-12-19(13-11-18)16(17)15-7-5-14(2)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3/b17-16+.
What are the key properties of (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine?
(4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine has a molecular weight of 259.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-(4-methylphenyl)methanimine is sourced from PubChem (CID 91316469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).