2-pyridin-3-ylpiperazine

C9H13N3 — CID 3872289

IUPAC2-pyridin-3-ylpiperazine
SMILESc1cncc(C2CNCCN2)c1
InChIInChI=1S/C9H13N3/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h1-3,6,9,11-12H,4-5,7H2
InChIKeyCGUDKJYHYOYXAQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.32
Rot. Bonds1

About 2-pyridin-3-ylpiperazine

2-pyridin-3-ylpiperazine (PubChem CID 3872289) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name2-pyridin-3-ylpiperazine
PubChem CID3872289
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-pyridin-3-ylpiperazine
SMILESc1cncc(C2CNCCN2)c1
InChIInChI=1S/C9H13N3/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h1-3,6,9,11-12H,4-5,7H2
InChIKeyCGUDKJYHYOYXAQ-UHFFFAOYSA-N
XLogP0.32
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-pyridin-3-ylpiperazine 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

3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
3-pyrrolidin-3-ylpyridine
CID 3613651
(2R)-2-(5-chloro-3-pyridinyl)piperazine
CID 55273838
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-pyridin-3-ylthiomorpholine
CID 3873279
(2S)-2-(5-fluoro-3-pyridinyl)piperazine
CID 55265229
3-piperazin-2-ylaniline
CID 45099675
3-[3-(4-methylphenyl)piperidin-4-yl]pyridine
CID 79441307
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
2-(4-phenoxyphenyl)piperazine
CID 82298874

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylpiperazine?
The IUPAC name of 2-pyridin-3-ylpiperazine (CID 3872289) is 2-pyridin-3-ylpiperazine.
What is the SMILES notation for 2-pyridin-3-ylpiperazine?
The canonical SMILES for 2-pyridin-3-ylpiperazine is c1cncc(C2CNCCN2)c1.
What is the InChIKey of 2-pyridin-3-ylpiperazine?
The InChIKey is CGUDKJYHYOYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-8(6-10-3-1)9-7-11-4-5-12-9/h1-3,6,9,11-12H,4-5,7H2.
What are the key properties of 2-pyridin-3-ylpiperazine?
2-pyridin-3-ylpiperazine has a molecular weight of 163.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylpiperazine is sourced from PubChem (CID 3872289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).