4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine

C12H20N4 — CID 102881009

IUPAC4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine
SMILESCc1cncc(CNN2CCN(C)CC2)c1
InChIInChI=1S/C12H20N4/c1-11-7-12(9-13-8-11)10-14-16-5-3-15(2)4-6-16/h7-9,14H,3-6,10H2,1-2H3
InChIKeyRBGSMYNMLDBADJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.64
Rot. Bonds3

About 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine

4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine (PubChem CID 102881009) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine
PubChem CID102881009
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine
SMILESCc1cncc(CNN2CCN(C)CC2)c1
InChIInChI=1S/C12H20N4/c1-11-7-12(9-13-8-11)10-14-16-5-3-15(2)4-6-16/h7-9,14H,3-6,10H2,1-2H3
InChIKeyRBGSMYNMLDBADJ-UHFFFAOYSA-N
XLogP0.64
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine (CID 102881009) is 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine is Cc1cncc(CNN2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine?
The InChIKey is RBGSMYNMLDBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-11-7-12(9-13-8-11)10-14-16-5-3-15(2)4-6-16/h7-9,14H,3-6,10H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine?
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine has a molecular weight of 220.32 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine is sourced from PubChem (CID 102881009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).