[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine

C12H20N4 — CID 63605164

IUPAC[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CN(c2ncccc2CN)CCN1C
InChIInChI=1S/C12H20N4/c1-10-9-16(7-6-15(10)2)12-11(8-13)4-3-5-14-12/h3-5,10H,6-9,13H2,1-2H3
InChIKeyHUZHQTAQWFRMBK-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.68
Rot. Bonds2

About [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine

[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine (PubChem CID 63605164) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
PubChem CID63605164
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCC1CN(c2ncccc2CN)CCN1C
InChIInChI=1S/C12H20N4/c1-10-9-16(7-6-15(10)2)12-11(8-13)4-3-5-14-12/h3-5,10H,6-9,13H2,1-2H3
InChIKeyHUZHQTAQWFRMBK-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine (CID 63605164) is [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine is CC1CN(c2ncccc2CN)CCN1C.
What is the InChIKey of [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is HUZHQTAQWFRMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-9-16(7-6-15(10)2)12-11(8-13)4-3-5-14-12/h3-5,10H,6-9,13H2,1-2H3.
What are the key properties of [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 63605164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).