1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine

C13H21N3 — CID 118638744

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCCc1ccc(CN2CCN(C)CC2)nc1
InChIInChI=1S/C13H21N3/c1-3-12-4-5-13(14-10-12)11-16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyGZLXZNRXORDNDY-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.39
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine

1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine (PubChem CID 118638744) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
PubChem CID118638744
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
SMILESCCc1ccc(CN2CCN(C)CC2)nc1
InChIInChI=1S/C13H21N3/c1-3-12-4-5-13(14-10-12)11-16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyGZLXZNRXORDNDY-UHFFFAOYSA-N
XLogP1.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine (CID 118638744) is 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine is CCc1ccc(CN2CCN(C)CC2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine?
The InChIKey is GZLXZNRXORDNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-12-4-5-13(14-10-12)11-16-8-6-15(2)7-9-16/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine?
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine has a molecular weight of 219.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 118638744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).