2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

C14H22N6O — CID 2990868

IUPAC2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCC(C)(C)Nc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C14H22N6O/c1-14(2,3)19-11-16-12(20-8-5-4-6-9-20)18-13(17-11)21-10-7-15/h4-6,8-10H2,1-3H3,(H,16,17,18,19)
InChIKeyJMYAXVUQXAAMBK-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.97
Rot. Bonds4

About 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 2990868) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID2990868
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCC(C)(C)Nc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C14H22N6O/c1-14(2,3)19-11-16-12(20-8-5-4-6-9-20)18-13(17-11)21-10-7-15/h4-6,8-10H2,1-3H3,(H,16,17,18,19)
InChIKeyJMYAXVUQXAAMBK-UHFFFAOYSA-N
XLogP1.97
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(4-Methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
CID 4918510
Cyclopentyl-[4-ethoxy-6-(4-methyl-piperidin-1-yl)-[1,3,5]triazin-2-yl]-amine
CID 694897
{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 535383
N-tert-Butyl-N'-cyclohexyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 783139
N-(tert-butyl)-N'-ethyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine
CID 974634
2-{[4-(Ethylamino)-6-(piperidin-1-YL)-1,3,5-triazin-2-YL]oxy}acetonitrile
CID 1826712
2-[[4-(Tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
CID 3158767
(4-Ethoxy-6-piperidin-1-yl-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 3901394
N-tert-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3942687
N-ethyl-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80844475
4-(2,2-difluoroethoxy)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 82009717

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 2990868) is 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is CC(C)(C)Nc1nc(OCC#N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is JMYAXVUQXAAMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2,3)19-11-16-12(20-8-5-4-6-9-20)18-13(17-11)21-10-7-15/h4-6,8-10H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 290.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 2990868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).