4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine

C21H21Cl2N5 — CID 15435628

IUPAC4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H21Cl2N5/c22-16-6-7-18(23)17(13-16)19-25-20(24)27-21(26-19)28-10-8-15(9-11-28)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,24,25,26,27)
InChIKeyXOUKNSBVTOEDBZ-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.89
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine

4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine (PubChem CID 15435628) has the molecular formula C21H21Cl2N5 and a molecular weight of 414.34 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
PubChem CID15435628
Molecular FormulaC21H21Cl2N5
Molecular Weight414.34 g/mol
Exact Mass413.12
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H21Cl2N5/c22-16-6-7-18(23)17(13-16)19-25-20(24)27-21(26-19)28-10-8-15(9-11-28)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,24,25,26,27)
InChIKeyXOUKNSBVTOEDBZ-UHFFFAOYSA-N
XLogP4.89
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine (CID 15435628) is 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is XOUKNSBVTOEDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5/c22-16-6-7-18(23)17(13-16)19-25-20(24)27-21(26-19)28-10-8-15(9-11-28)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H2,24,25,26,27).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine?
4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 414.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15435628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).