1-(6-chloro-2-pyridinyl)piperazine;hydrochloride

C9H13Cl2N3 — CID 3024498

IUPAC1-(6-chloro-2-pyridinyl)piperazine;hydrochloride
SMILESCl.Clc1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H12ClN3.ClH/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1H
InChIKeyRUGNATCZWBPRAU-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.57
Rot. Bonds1

About 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride

1-(6-chloro-2-pyridinyl)piperazine;hydrochloride (PubChem CID 3024498) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)piperazine;hydrochloride
PubChem CID3024498
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name1-(6-chloro-2-pyridinyl)piperazine;hydrochloride
SMILESCl.Clc1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H12ClN3.ClH/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1H
InChIKeyRUGNATCZWBPRAU-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-Chloro-2-pyridinyl)-4-piperidinamine hydrochloride
CID 131746
1-(2-Pyridyl)piperazine
CID 94459
1-(6-Chloro-2-pyridinyl)-4-piperidinamine
CID 131747
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(3-Iodopyridin-2-yl)piperazine
CID 11500225
Org 12962
CID 9796408
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
2-Amino-6-chloropyridine
CID 206246
Piperazine, 1-(2-pyridinyl)-, dihydrochloride
CID 3040476

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride (CID 3024498) is 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride is Cl.Clc1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is RUGNATCZWBPRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3.ClH/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1H.
What are the key properties of 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride?
1-(6-chloro-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 3024498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).