1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine

C17H28N4 — CID 83980176

IUPAC1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
SMILESCC1CCCN(CC(c2ccccn2)N2CCNCC2)C1
InChIInChI=1S/C17H28N4/c1-15-5-4-10-20(13-15)14-17(16-6-2-3-7-19-16)21-11-8-18-9-12-21/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3
InChIKeyWGMHSLQHMIRKSW-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.76
Rot. Bonds4

About 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine

1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine (PubChem CID 83980176) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
PubChem CID83980176
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine
SMILESCC1CCCN(CC(c2ccccn2)N2CCNCC2)C1
InChIInChI=1S/C17H28N4/c1-15-5-4-10-20(13-15)14-17(16-6-2-3-7-19-16)21-11-8-18-9-12-21/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3
InChIKeyWGMHSLQHMIRKSW-UHFFFAOYSA-N
XLogP1.76
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]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-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine (CID 83980176) is 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine is CC1CCCN(CC(c2ccccn2)N2CCNCC2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
The InChIKey is WGMHSLQHMIRKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15-5-4-10-20(13-15)14-17(16-6-2-3-7-19-16)21-11-8-18-9-12-21/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine?
1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)-1-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 83980176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).