2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol

C17H30N4O — CID 155781009

IUPAC2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cncc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4O/c1-16(2,3)13-6-8-21(9-7-13)15-11-18-10-14(19-15)20-17(4,5)12-22/h10-11,13,22H,6-9,12H2,1-5H3,(H,19,20)
InChIKeyLEDDRUOYZGIYBD-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.92
Rot. Bonds4

About 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol

2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 155781009) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID155781009
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1cncc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H30N4O/c1-16(2,3)13-6-8-21(9-7-13)15-11-18-10-14(19-15)20-17(4,5)12-22/h10-11,13,22H,6-9,12H2,1-5H3,(H,19,20)
InChIKeyLEDDRUOYZGIYBD-UHFFFAOYSA-N
XLogP2.92
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol (CID 155781009) is 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1cncc(N2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is LEDDRUOYZGIYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-16(2,3)13-6-8-21(9-7-13)15-11-18-10-14(19-15)20-17(4,5)12-22/h10-11,13,22H,6-9,12H2,1-5H3,(H,19,20).
What are the key properties of 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-tert-butylpiperidin-1-yl)pyrazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 155781009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).