(2R)-2-(2-chloro-4-pyridinyl)piperazine

C9H12ClN3 — CID 130941484

IUPAC(2R)-2-(2-chloro-4-pyridinyl)piperazine
SMILESClc1cc([C@@H]2CNCCN2)ccn1
InChIInChI=1S/C9H12ClN3/c10-9-5-7(1-2-13-9)8-6-11-3-4-12-8/h1-2,5,8,11-12H,3-4,6H2/t8-/m0/s1
InChIKeyLVRQBZWWSJUHBL-QMMMGPOBSA-N
MW197.67 g/mol
LogP0.97
Rot. Bonds1

About (2R)-2-(2-chloro-4-pyridinyl)piperazine

(2R)-2-(2-chloro-4-pyridinyl)piperazine (PubChem CID 130941484) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-pyridinyl)piperazine
PubChem CID130941484
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name(2R)-2-(2-chloro-4-pyridinyl)piperazine
SMILESClc1cc([C@@H]2CNCCN2)ccn1
InChIInChI=1S/C9H12ClN3/c10-9-5-7(1-2-13-9)8-6-11-3-4-12-8/h1-2,5,8,11-12H,3-4,6H2/t8-/m0/s1
InChIKeyLVRQBZWWSJUHBL-QMMMGPOBSA-N
XLogP0.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-pyridinyl)piperazine?
The IUPAC name of (2R)-2-(2-chloro-4-pyridinyl)piperazine (CID 130941484) is (2R)-2-(2-chloro-4-pyridinyl)piperazine.
What is the SMILES notation for (2R)-2-(2-chloro-4-pyridinyl)piperazine?
The canonical SMILES for (2R)-2-(2-chloro-4-pyridinyl)piperazine is Clc1cc([C@@H]2CNCCN2)ccn1.
What is the InChIKey of (2R)-2-(2-chloro-4-pyridinyl)piperazine?
The InChIKey is LVRQBZWWSJUHBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-9-5-7(1-2-13-9)8-6-11-3-4-12-8/h1-2,5,8,11-12H,3-4,6H2/t8-/m0/s1.
What are the key properties of (2R)-2-(2-chloro-4-pyridinyl)piperazine?
(2R)-2-(2-chloro-4-pyridinyl)piperazine has a molecular weight of 197.67 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-pyridinyl)piperazine is sourced from PubChem (CID 130941484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).