3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine

C13H23N5 — CID 113305502

IUPAC3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
SMILESCN1CCN(C)C(CC(N)c2cnccc2N)C1
InChIInChI=1S/C13H23N5/c1-17-5-6-18(2)10(9-17)7-13(15)11-8-16-4-3-12(11)14/h3-4,8,10,13H,5-7,9,15H2,1-2H3,(H2,14,16)
InChIKeyUMJCHPIRXBFVKE-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.30
Rot. Bonds3

About 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine

3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine (PubChem CID 113305502) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
PubChem CID113305502
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
SMILESCN1CCN(C)C(CC(N)c2cnccc2N)C1
InChIInChI=1S/C13H23N5/c1-17-5-6-18(2)10(9-17)7-13(15)11-8-16-4-3-12(11)14/h3-4,8,10,13H,5-7,9,15H2,1-2H3,(H2,14,16)
InChIKeyUMJCHPIRXBFVKE-UHFFFAOYSA-N
XLogP0.30
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113305458
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
CID 115415033
2-(1,4-dimethylpiperazin-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113305498
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
2-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 115415291
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106762883
2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114659615
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine (CID 113305502) is 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine is CN1CCN(C)C(CC(N)c2cnccc2N)C1.
What is the InChIKey of 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine?
The InChIKey is UMJCHPIRXBFVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17-5-6-18(2)10(9-17)7-13(15)11-8-16-4-3-12(11)14/h3-4,8,10,13H,5-7,9,15H2,1-2H3,(H2,14,16).
What are the key properties of 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine?
3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 113305502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).