1-chloro-4-pyridin-2-ylpiperazine

C9H12ClN3 — CID 130280526

IUPAC1-chloro-4-pyridin-2-ylpiperazine
SMILESClN1CCN(c2ccccn2)CC1
InChIInChI=1S/C9H12ClN3/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8H2
InChIKeyPGOIPLYOJGATQP-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.36
Rot. Bonds1

About 1-chloro-4-pyridin-2-ylpiperazine

1-chloro-4-pyridin-2-ylpiperazine (PubChem CID 130280526) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-chloro-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-chloro-4-pyridin-2-ylpiperazine
PubChem CID130280526
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1-chloro-4-pyridin-2-ylpiperazine
SMILESClN1CCN(c2ccccn2)CC1
InChIInChI=1S/C9H12ClN3/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8H2
InChIKeyPGOIPLYOJGATQP-UHFFFAOYSA-N
XLogP1.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-4-pyridin-2-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

1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
2-(4-methylidenepiperidin-1-yl)pyridine
CID 23544056
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
2-(chloromethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
CID 107373291
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-chloro-4-pyridin-2-ylpiperazine (CID 130280526) is 1-chloro-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-chloro-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-chloro-4-pyridin-2-ylpiperazine is ClN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-chloro-4-pyridin-2-ylpiperazine?
The InChIKey is PGOIPLYOJGATQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-13-7-5-12(6-8-13)9-3-1-2-4-11-9/h1-4H,5-8H2.
What are the key properties of 1-chloro-4-pyridin-2-ylpiperazine?
1-chloro-4-pyridin-2-ylpiperazine has a molecular weight of 197.67 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 130280526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).