1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine

C17H19ClN4 — CID 86694860

IUPAC1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
SMILESClc1cc(C2CC2)cc(-c2ccc(N3CCNCC3)nc2)n1
InChIInChI=1S/C17H19ClN4/c18-16-10-14(12-1-2-12)9-15(21-16)13-3-4-17(20-11-13)22-7-5-19-6-8-22/h3-4,9-12,19H,1-2,5-8H2
InChIKeySVUOVNVITKZFEF-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.08
Rot. Bonds3

About 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine

1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine (PubChem CID 86694860) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
PubChem CID86694860
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
SMILESClc1cc(C2CC2)cc(-c2ccc(N3CCNCC3)nc2)n1
InChIInChI=1S/C17H19ClN4/c18-16-10-14(12-1-2-12)9-15(21-16)13-3-4-17(20-11-13)22-7-5-19-6-8-22/h3-4,9-12,19H,1-2,5-8H2
InChIKeySVUOVNVITKZFEF-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine (CID 86694860) is 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine is Clc1cc(C2CC2)cc(-c2ccc(N3CCNCC3)nc2)n1.
What is the InChIKey of 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine?
The InChIKey is SVUOVNVITKZFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c18-16-10-14(12-1-2-12)9-15(21-16)13-3-4-17(20-11-13)22-7-5-19-6-8-22/h3-4,9-12,19H,1-2,5-8H2.
What are the key properties of 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine?
1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine has a molecular weight of 314.82 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 86694860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).