4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C15H26N6 — CID 80775661

IUPAC4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCN(c2nc(N)nc(N3CCCCC3)n2)C1
InChIInChI=1S/C15H26N6/c1-2-12-7-6-10-21(11-12)15-18-13(16)17-14(19-15)20-8-4-3-5-9-20/h12H,2-11H2,1H3,(H2,16,17,18,19)
InChIKeyZUSDLMTVQFXNNV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds3

About 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80775661) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80775661
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCN(c2nc(N)nc(N3CCCCC3)n2)C1
InChIInChI=1S/C15H26N6/c1-2-12-7-6-10-21(11-12)15-18-13(16)17-14(19-15)20-8-4-3-5-9-20/h12H,2-11H2,1H3,(H2,16,17,18,19)
InChIKeyZUSDLMTVQFXNNV-UHFFFAOYSA-N
XLogP2.07
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80775661) is 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCC1CCCN(c2nc(N)nc(N3CCCCC3)n2)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZUSDLMTVQFXNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-12-7-6-10-21(11-12)15-18-13(16)17-14(19-15)20-8-4-3-5-9-20/h12H,2-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80775661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).