3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine

C11H16ClN3 — CID 63388819

IUPAC3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCC(Cl)CC2)n1
InChIInChI=1S/C11H16ClN3/c1-8-7-13-9(2)11(14-8)15-5-3-10(12)4-6-15/h7,10H,3-6H2,1-2H3
InChIKeyCIOSNTXBRPRMFL-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds1

About 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine

3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine (PubChem CID 63388819) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine
PubChem CID63388819
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCC(Cl)CC2)n1
InChIInChI=1S/C11H16ClN3/c1-8-7-13-9(2)11(14-8)15-5-3-10(12)4-6-15/h7,10H,3-6H2,1-2H3
InChIKeyCIOSNTXBRPRMFL-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine (CID 63388819) is 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCC(Cl)CC2)n1.
What is the InChIKey of 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine?
The InChIKey is CIOSNTXBRPRMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-7-13-9(2)11(14-8)15-5-3-10(12)4-6-15/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine?
3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine has a molecular weight of 225.72 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropiperidin-1-yl)-2,5-dimethylpyrazine is sourced from PubChem (CID 63388819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).