3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine

C18H26N6 — CID 95822110

IUPAC3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCC(C)(C)CN1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C18H26N6/c1-18(2,3)13-24-10-4-14(5-11-24)16-17(22-9-8-21-16)23-15-12-19-6-7-20-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,20,22,23)
InChIKeySQBDIRXACPWKRL-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.24
Rot. Bonds4

About 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 95822110) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine
PubChem CID95822110
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCC(C)(C)CN1CCC(c2nccnc2Nc2cnccn2)CC1
InChIInChI=1S/C18H26N6/c1-18(2,3)13-24-10-4-14(5-11-24)16-17(22-9-8-21-16)23-15-12-19-6-7-20-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,20,22,23)
InChIKeySQBDIRXACPWKRL-UHFFFAOYSA-N
XLogP3.24
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine (CID 95822110) is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine is CC(C)(C)CN1CCC(c2nccnc2Nc2cnccn2)CC1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is SQBDIRXACPWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-18(2,3)13-24-10-4-14(5-11-24)16-17(22-9-8-21-16)23-15-12-19-6-7-20-15/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,20,22,23).
What are the key properties of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine?
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95822110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).