2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine

C14H24N4 — CID 115239483

IUPAC2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCN1CCNC(CCNCCc2cccnc2)C1
InChIInChI=1S/C14H24N4/c1-18-10-9-17-14(12-18)5-8-15-7-4-13-3-2-6-16-11-13/h2-3,6,11,14-15,17H,4-5,7-10,12H2,1H3
InChIKeySMEAOIRFFGSALI-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.51
Rot. Bonds6

About 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine

2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 115239483) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID115239483
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCN1CCNC(CCNCCc2cccnc2)C1
InChIInChI=1S/C14H24N4/c1-18-10-9-17-14(12-18)5-8-15-7-4-13-3-2-6-16-11-13/h2-3,6,11,14-15,17H,4-5,7-10,12H2,1H3
InChIKeySMEAOIRFFGSALI-UHFFFAOYSA-N
XLogP0.51
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
CID 116920038
2-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2-pyridin-3-ylpropan-1-amine
CID 115238821
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
CID 115238152
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine (CID 115239483) is 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine is CN1CCNC(CCNCCc2cccnc2)C1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is SMEAOIRFFGSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-18-10-9-17-14(12-18)5-8-15-7-4-13-3-2-6-16-11-13/h2-3,6,11,14-15,17H,4-5,7-10,12H2,1H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine?
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 115239483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).