2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine

C12H18ClN3 — CID 59598902

IUPAC2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
SMILESCC(C)C1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C12H18ClN3/c1-9(2)10-3-5-16(6-4-10)12-8-14-7-11(13)15-12/h7-10H,3-6H2,1-2H3
InChIKeyJXFSSOWVSYKFDI-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine

2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine (PubChem CID 59598902) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
PubChem CID59598902
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
SMILESCC(C)C1CCN(c2cncc(Cl)n2)CC1
InChIInChI=1S/C12H18ClN3/c1-9(2)10-3-5-16(6-4-10)12-8-14-7-11(13)15-12/h7-10H,3-6H2,1-2H3
InChIKeyJXFSSOWVSYKFDI-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine (CID 59598902) is 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine is CC(C)C1CCN(c2cncc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine?
The InChIKey is JXFSSOWVSYKFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9(2)10-3-5-16(6-4-10)12-8-14-7-11(13)15-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine?
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine has a molecular weight of 239.75 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 59598902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).