2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine

C11H16ClN3 — CID 26343632

IUPAC2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CCC[C@@H](CCl)C2)n1
InChIInChI=1S/C11H16ClN3/c1-9-6-13-7-11(14-9)15-4-2-3-10(5-12)8-15/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyDTVYKEHYUMEUFH-JTQLQIEISA-N
MW225.72 g/mol
LogP2.24
Rot. Bonds2

About 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine

2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine (PubChem CID 26343632) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine
PubChem CID26343632
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine
SMILESCc1cncc(N2CCC[C@@H](CCl)C2)n1
InChIInChI=1S/C11H16ClN3/c1-9-6-13-7-11(14-9)15-4-2-3-10(5-12)8-15/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1
InChIKeyDTVYKEHYUMEUFH-JTQLQIEISA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.24
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 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine (CID 26343632) is 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine is Cc1cncc(N2CCC[C@@H](CCl)C2)n1.
What is the InChIKey of 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine?
The InChIKey is DTVYKEHYUMEUFH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16ClN3/c1-9-6-13-7-11(14-9)15-4-2-3-10(5-12)8-15/h6-7,10H,2-5,8H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine?
2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine has a molecular weight of 225.72 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 26343632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).