1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine

C11H16ClN3O — CID 138561291

IUPAC1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
SMILESCOc1cc(Cl)cnc1N1CCN(C)CC1
InChIInChI=1S/C11H16ClN3O/c1-14-3-5-15(6-4-14)11-10(16-2)7-9(12)8-13-11/h7-8H,3-6H2,1-2H3
InChIKeyWJLQJWUWXZDFHD-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.50
Rot. Bonds2

About 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine

1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine (PubChem CID 138561291) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
PubChem CID138561291
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
SMILESCOc1cc(Cl)cnc1N1CCN(C)CC1
InChIInChI=1S/C11H16ClN3O/c1-14-3-5-15(6-4-14)11-10(16-2)7-9(12)8-13-11/h7-8H,3-6H2,1-2H3
InChIKeyWJLQJWUWXZDFHD-UHFFFAOYSA-N
XLogP1.50
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine (CID 138561291) is 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine is COc1cc(Cl)cnc1N1CCN(C)CC1.
What is the InChIKey of 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine?
The InChIKey is WJLQJWUWXZDFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-14-3-5-15(6-4-14)11-10(16-2)7-9(12)8-13-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine?
1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine has a molecular weight of 241.72 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 138561291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).