2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine

C13H20ClN3 — CID 83062274

IUPAC2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine
SMILESCCCC1CCCCN1c1cncc(CCl)n1
InChIInChI=1S/C13H20ClN3/c1-2-5-12-6-3-4-7-17(12)13-10-15-9-11(8-14)16-13/h9-10,12H,2-8H2,1H3
InChIKeyHGGQGXRBDQKCGD-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.37
Rot. Bonds4

About 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine

2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine (PubChem CID 83062274) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine
PubChem CID83062274
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine
SMILESCCCC1CCCCN1c1cncc(CCl)n1
InChIInChI=1S/C13H20ClN3/c1-2-5-12-6-3-4-7-17(12)13-10-15-9-11(8-14)16-13/h9-10,12H,2-8H2,1H3
InChIKeyHGGQGXRBDQKCGD-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66458374
4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
CID 83062355
[5-(2-propylpiperidin-1-yl)pyrazin-2-yl]methanol
CID 107372941
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
4-[6-(chloromethyl)pyrazin-2-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66467559
1-[5-(chloromethyl)pyrazin-2-yl]-2-ethylazepane
CID 107373567
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 66467109
2-methyl-N-[[6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 83045593
4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
CID 83062508
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine (CID 83062274) is 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine is CCCC1CCCCN1c1cncc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine?
The InChIKey is HGGQGXRBDQKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-2-5-12-6-3-4-7-17(12)13-10-15-9-11(8-14)16-13/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine?
2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine has a molecular weight of 253.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine is sourced from PubChem (CID 83062274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).