2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine

C17H29N7 — CID 655485

IUPAC2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
SMILESC1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1
InChIInChI=1S/C17H29N7/c1-3-9-22(10-4-1)15-19-16(23-11-5-2-6-12-23)21-17(20-15)24-13-7-18-8-14-24/h18H,1-14H2
InChIKeyOURNSQBCMZOFSW-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.26
Rot. Bonds3

About 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine

2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine (PubChem CID 655485) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
PubChem CID655485
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC Name2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
SMILESC1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1
InChIInChI=1S/C17H29N7/c1-3-9-22(10-4-1)15-19-16(23-11-5-2-6-12-23)21-17(20-15)24-13-7-18-8-14-24/h18H,1-14H2
InChIKeyOURNSQBCMZOFSW-UHFFFAOYSA-N
XLogP1.26
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine (CID 655485) is 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine is C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1.
What is the InChIKey of 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine?
The InChIKey is OURNSQBCMZOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-3-9-22(10-4-1)15-19-16(23-11-5-2-6-12-23)21-17(20-15)24-13-7-18-8-14-24/h18H,1-14H2.
What are the key properties of 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine?
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine has a molecular weight of 331.47 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 655485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).