N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C18H25N7 — CID 801091

IUPACN-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCCC3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C18H25N7/c1-3-7-15(8-4-1)20-16-21-17(24-11-5-2-6-12-24)23-18(22-16)25-13-9-19-10-14-25/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,20,21,22,23)
InChIKeyVEJZPHVTWOPCRO-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.02
Rot. Bonds4

About N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 801091) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID801091
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCCC3)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C18H25N7/c1-3-7-15(8-4-1)20-16-21-17(24-11-5-2-6-12-24)23-18(22-16)25-13-9-19-10-14-25/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,20,21,22,23)
InChIKeyVEJZPHVTWOPCRO-UHFFFAOYSA-N
XLogP2.02
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 801091) is N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCCCC3)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VEJZPHVTWOPCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-3-7-15(8-4-1)20-16-21-17(24-11-5-2-6-12-24)23-18(22-16)25-13-9-19-10-14-25/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,20,21,22,23).
What are the key properties of N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 339.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-piperazin-1-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 801091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).