1-methyl-4-(4-propyl-2-pyridinyl)piperazine

C13H21N3 — CID 145392081

IUPAC1-methyl-4-(4-propyl-2-pyridinyl)piperazine
SMILESCCCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H21N3/c1-3-4-12-5-6-14-13(11-12)16-9-7-15(2)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHETMDZYFPIAPAY-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-4-(4-propyl-2-pyridinyl)piperazine

1-methyl-4-(4-propyl-2-pyridinyl)piperazine (PubChem CID 145392081) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4-(4-propyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-propyl-2-pyridinyl)piperazine
PubChem CID145392081
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-4-(4-propyl-2-pyridinyl)piperazine
SMILESCCCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H21N3/c1-3-4-12-5-6-14-13(11-12)16-9-7-15(2)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHETMDZYFPIAPAY-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(4-propyl-2-pyridinyl)piperazine 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-methyl-4-(4-propyl-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine (CID 145392081) is 1-methyl-4-(4-propyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(4-propyl-2-pyridinyl)piperazine is CCCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
The InChIKey is HETMDZYFPIAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-12-5-6-14-13(11-12)16-9-7-15(2)8-10-16/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-propyl-2-pyridinyl)piperazine?
1-methyl-4-(4-propyl-2-pyridinyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-propyl-2-pyridinyl)piperazine is sourced from PubChem (CID 145392081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).