1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine

C12H19N3 — CID 20791675

IUPAC1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(C)CC2)nc1
InChIInChI=1S/C12H19N3/c1-11-3-4-12(13-9-11)10-15-7-5-14(2)6-8-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyVZLRSEHINCNBIS-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.14
Rot. Bonds2

About 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine

1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 20791675) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
PubChem CID20791675
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(C)CC2)nc1
InChIInChI=1S/C12H19N3/c1-11-3-4-12(13-9-11)10-15-7-5-14(2)6-8-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyVZLRSEHINCNBIS-UHFFFAOYSA-N
XLogP1.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine (CID 20791675) is 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine is Cc1ccc(CN2CCN(C)CC2)nc1.
What is the InChIKey of 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is VZLRSEHINCNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11-3-4-12(13-9-11)10-15-7-5-14(2)6-8-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine?
1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 205.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 20791675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).