[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine

C12H20N4 — CID 80506253

IUPAC[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine
SMILESCc1cccnc1N1CCN(C)CC1CN
InChIInChI=1S/C12H20N4/c1-10-4-3-5-14-12(10)16-7-6-15(2)9-11(16)8-13/h3-5,11H,6-9,13H2,1-2H3
InChIKeyHYYZTEGYIBJFRF-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.47
Rot. Bonds2

About [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine

[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine (PubChem CID 80506253) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine
PubChem CID80506253
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine
SMILESCc1cccnc1N1CCN(C)CC1CN
InChIInChI=1S/C12H20N4/c1-10-4-3-5-14-12(10)16-7-6-15(2)9-11(16)8-13/h3-5,11H,6-9,13H2,1-2H3
InChIKeyHYYZTEGYIBJFRF-UHFFFAOYSA-N
XLogP0.47
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine (CID 80506253) is [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine is Cc1cccnc1N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine?
The InChIKey is HYYZTEGYIBJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-4-3-5-14-12(10)16-7-6-15(2)9-11(16)8-13/h3-5,11H,6-9,13H2,1-2H3.
What are the key properties of [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine?
[4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methyl-2-pyridinyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).