2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C41H62ClN7O2 — CID 22598274

IUPAC2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)n1)C1CC(C)(C)N(Oc2ccccc2)C(C)(C)C1
InChIInChI=1S/C41H62ClN7O2/c1-11-13-25-46(31-27-38(3,4)48(39(5,6)28-31)50-33-21-17-15-18-22-33)36-43-35(42)44-37(45-36)47(26-14-12-2)32-29-40(7,8)49(41(9,10)30-32)51-34-23-19-16-20-24-34/h15-24,31-32H,11-14,25-30H2,1-10H3
InChIKeyLTXYIDHDKHMDCR-UHFFFAOYSA-N
MW720.45 g/mol
LogP9.77
Rot. Bonds14

About 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 22598274) has the molecular formula C41H62ClN7O2 and a molecular weight of 720.45 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID22598274
Molecular FormulaC41H62ClN7O2
Molecular Weight720.45 g/mol
Exact Mass719.47
IUPAC Name2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)n1)C1CC(C)(C)N(Oc2ccccc2)C(C)(C)C1
InChIInChI=1S/C41H62ClN7O2/c1-11-13-25-46(31-27-38(3,4)48(39(5,6)28-31)50-33-21-17-15-18-22-33)36-43-35(42)44-37(45-36)47(26-14-12-2)32-29-40(7,8)49(41(9,10)30-32)51-34-23-19-16-20-24-34/h15-24,31-32H,11-14,25-30H2,1-10H3
InChIKeyLTXYIDHDKHMDCR-UHFFFAOYSA-N
XLogP9.77
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.45
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine 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-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 22598274) is 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)n1)C1CC(C)(C)N(Oc2ccccc2)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LTXYIDHDKHMDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H62ClN7O2/c1-11-13-25-46(31-27-38(3,4)48(39(5,6)28-31)50-33-21-17-15-18-22-33)36-43-35(42)44-37(45-36)47(26-14-12-2)32-29-40(7,8)49(41(9,10)30-32)51-34-23-19-16-20-24-34/h15-24,31-32H,11-14,25-30H2,1-10H3.
What are the key properties of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 720.45 g/mol, XLogP of 9.77, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethyl-1-phenoxypiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22598274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).