1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine

C17H35N3 — CID 59639475

IUPAC1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine
SMILESCCCCCCC1(N2CCN(C)CC2)CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-4-5-6-7-8-17(9-11-18(2)12-10-17)20-15-13-19(3)14-16-20/h4-16H2,1-3H3
InChIKeyAQOIJJGNGHZENV-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine

1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine (PubChem CID 59639475) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine
PubChem CID59639475
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine
SMILESCCCCCCC1(N2CCN(C)CC2)CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-4-5-6-7-8-17(9-11-18(2)12-10-17)20-15-13-19(3)14-16-20/h4-16H2,1-3H3
InChIKeyAQOIJJGNGHZENV-UHFFFAOYSA-N
XLogP2.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine 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 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine?
The IUPAC name of 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine (CID 59639475) is 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine?
The canonical SMILES for 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine is CCCCCCC1(N2CCN(C)CC2)CCN(C)CC1.
What is the InChIKey of 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine?
The InChIKey is AQOIJJGNGHZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-5-6-7-8-17(9-11-18(2)12-10-17)20-15-13-19(3)14-16-20/h4-16H2,1-3H3.
What are the key properties of 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine?
1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexyl-1-methylpiperidin-4-yl)-4-methylpiperazine is sourced from PubChem (CID 59639475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).