2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine

C36H66N6 — CID 139435709

IUPAC2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine
SMILESCCCCC(CCC)C1CCN(c2nc(N3CCC(C(C)CC)CC3)nc(N3CCC(C(CC)CCC)CC3)n2)CC1
InChIInChI=1S/C36H66N6/c1-7-12-15-31(14-9-3)33-20-26-42(27-21-33)36-38-34(40-22-16-30(17-23-40)28(6)10-4)37-35(39-36)41-24-18-32(19-25-41)29(11-5)13-8-2/h28-33H,7-27H2,1-6H3
InChIKeyJBJVTABLCWEOOH-UHFFFAOYSA-N
MW582.97 g/mol
LogP9.00
Rot. Bonds15

About 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine

2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 139435709) has the molecular formula C36H66N6 and a molecular weight of 582.97 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine
PubChem CID139435709
Molecular FormulaC36H66N6
Molecular Weight582.97 g/mol
Exact Mass582.53
IUPAC Name2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine
SMILESCCCCC(CCC)C1CCN(c2nc(N3CCC(C(C)CC)CC3)nc(N3CCC(C(CC)CCC)CC3)n2)CC1
InChIInChI=1S/C36H66N6/c1-7-12-15-31(14-9-3)33-20-26-42(27-21-33)36-38-34(40-22-16-30(17-23-40)28(6)10-4)37-35(39-36)41-24-18-32(19-25-41)29(11-5)13-8-2/h28-33H,7-27H2,1-6H3
InChIKeyJBJVTABLCWEOOH-UHFFFAOYSA-N
XLogP9.00
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.97
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine 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 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine (CID 139435709) is 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine is CCCCC(CCC)C1CCN(c2nc(N3CCC(C(C)CC)CC3)nc(N3CCC(C(CC)CCC)CC3)n2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is JBJVTABLCWEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66N6/c1-7-12-15-31(14-9-3)33-20-26-42(27-21-33)36-38-34(40-22-16-30(17-23-40)28(6)10-4)37-35(39-36)41-24-18-32(19-25-41)29(11-5)13-8-2/h28-33H,7-27H2,1-6H3.
What are the key properties of 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine?
2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 582.97 g/mol, XLogP of 9.00, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 139435709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).