1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine

C11H16ClN3 — CID 4600403

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(Cl)n2)CC1
InChIInChI=1S/C11H16ClN3/c1-14-5-7-15(8-6-14)9-10-3-2-4-11(12)13-10/h2-4H,5-9H2,1H3
InChIKeyYYSDQIICRHXKEJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.48
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine

1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine (PubChem CID 4600403) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine
PubChem CID4600403
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cccc(Cl)n2)CC1
InChIInChI=1S/C11H16ClN3/c1-14-5-7-15(8-6-14)9-10-3-2-4-11(12)13-10/h2-4H,5-9H2,1H3
InChIKeyYYSDQIICRHXKEJ-UHFFFAOYSA-N
XLogP1.48
TPSA19.37 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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine (CID 4600403) is 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine is CN1CCN(Cc2cccc(Cl)n2)CC1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine?
The InChIKey is YYSDQIICRHXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-14-5-7-15(8-6-14)9-10-3-2-4-11(12)13-10/h2-4H,5-9H2,1H3.
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine?
1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine has a molecular weight of 225.72 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 4600403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).