2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine

C14H24N4 — CID 77246039

IUPAC2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine
SMILESCC1CN(Cc2cccnc2)C(C)CN1CCN
InChIInChI=1S/C14H24N4/c1-12-10-18(11-14-4-3-6-16-8-14)13(2)9-17(12)7-5-15/h3-4,6,8,12-13H,5,7,9-11,15H2,1-2H3
InChIKeyTWYYZTPSJLKJML-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.93
Rot. Bonds4

About 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine

2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine (PubChem CID 77246039) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine
PubChem CID77246039
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine
SMILESCC1CN(Cc2cccnc2)C(C)CN1CCN
InChIInChI=1S/C14H24N4/c1-12-10-18(11-14-4-3-6-16-8-14)13(2)9-17(12)7-5-15/h3-4,6,8,12-13H,5,7,9-11,15H2,1-2H3
InChIKeyTWYYZTPSJLKJML-UHFFFAOYSA-N
XLogP0.93
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-methyl-4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 81217823
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870204
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine (CID 77246039) is 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine is CC1CN(Cc2cccnc2)C(C)CN1CCN.
What is the InChIKey of 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine?
The InChIKey is TWYYZTPSJLKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-10-18(11-14-4-3-6-16-8-14)13(2)9-17(12)7-5-15/h3-4,6,8,12-13H,5,7,9-11,15H2,1-2H3.
What are the key properties of 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine?
2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 77246039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).