4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine

C13H20ClN3 — CID 63634499

IUPAC4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine
SMILESCN1CCN(c2cccc(CCl)n2)CC1(C)C
InChIInChI=1S/C13H20ClN3/c1-13(2)10-17(8-7-16(13)3)12-6-4-5-11(9-14)15-12/h4-6H,7-10H2,1-3H3
InChIKeyRQEIQKBFOZSHMD-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.35
Rot. Bonds2

About 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine

4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine (PubChem CID 63634499) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine
PubChem CID63634499
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine
SMILESCN1CCN(c2cccc(CCl)n2)CC1(C)C
InChIInChI=1S/C13H20ClN3/c1-13(2)10-17(8-7-16(13)3)12-6-4-5-11(9-14)15-12/h4-6H,7-10H2,1-3H3
InChIKeyRQEIQKBFOZSHMD-UHFFFAOYSA-N
XLogP2.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.35
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 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine?
The IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine (CID 63634499) is 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine is CN1CCN(c2cccc(CCl)n2)CC1(C)C.
What is the InChIKey of 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine?
The InChIKey is RQEIQKBFOZSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-13(2)10-17(8-7-16(13)3)12-6-4-5-11(9-14)15-12/h4-6H,7-10H2,1-3H3.
What are the key properties of 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine?
4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine has a molecular weight of 253.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)-2-pyridinyl]-1,2,2-trimethylpiperazine is sourced from PubChem (CID 63634499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).