4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine

C24H48N4 — CID 123378776

IUPAC4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine
SMILESCCCCCC(C)=CC(CCC(CC)C1CCNCC1N)N1CCN(C)CC1
InChIInChI=1S/C24H48N4/c1-5-7-8-9-20(3)18-22(28-16-14-27(4)15-17-28)11-10-21(6-2)23-12-13-26-19-24(23)25/h18,21-24,26H,5-17,19,25H2,1-4H3
InChIKeyWFOBJJOAHUJBKC-UHFFFAOYSA-N
MW392.68 g/mol
LogP3.87
Rot. Bonds11

About 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine

4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine (PubChem CID 123378776) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine
PubChem CID123378776
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC Name4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine
SMILESCCCCCC(C)=CC(CCC(CC)C1CCNCC1N)N1CCN(C)CC1
InChIInChI=1S/C24H48N4/c1-5-7-8-9-20(3)18-22(28-16-14-27(4)15-17-28)11-10-21(6-2)23-12-13-26-19-24(23)25/h18,21-24,26H,5-17,19,25H2,1-4H3
InChIKeyWFOBJJOAHUJBKC-UHFFFAOYSA-N
XLogP3.87
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine?
The IUPAC name of 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine (CID 123378776) is 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine.
What is the SMILES notation for 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine?
The canonical SMILES for 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine is CCCCCC(C)=CC(CCC(CC)C1CCNCC1N)N1CCN(C)CC1.
What is the InChIKey of 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine?
The InChIKey is WFOBJJOAHUJBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4/c1-5-7-8-9-20(3)18-22(28-16-14-27(4)15-17-28)11-10-21(6-2)23-12-13-26-19-24(23)25/h18,21-24,26H,5-17,19,25H2,1-4H3.
What are the key properties of 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine?
4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine has a molecular weight of 392.68 g/mol, XLogP of 3.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine is sourced from PubChem (CID 123378776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).