1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine

C12H17ClFN3 — CID 89427828

IUPAC1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCN(CCCCl)CC2)n1
InChIInChI=1S/C12H17ClFN3/c13-5-2-6-16-7-9-17(10-8-16)12-4-1-3-11(14)15-12/h1,3-4H,2,5-10H2
InChIKeyWIHWNDBFFXODIN-UHFFFAOYSA-N
MW257.74 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine

1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine (PubChem CID 89427828) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine
PubChem CID89427828
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCN(CCCCl)CC2)n1
InChIInChI=1S/C12H17ClFN3/c13-5-2-6-16-7-9-17(10-8-16)12-4-1-3-11(14)15-12/h1,3-4H,2,5-10H2
InChIKeyWIHWNDBFFXODIN-UHFFFAOYSA-N
XLogP1.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine (CID 89427828) is 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine is Fc1cccc(N2CCN(CCCCl)CC2)n1.
What is the InChIKey of 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine?
The InChIKey is WIHWNDBFFXODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c13-5-2-6-16-7-9-17(10-8-16)12-4-1-3-11(14)15-12/h1,3-4H,2,5-10H2.
What are the key properties of 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine?
1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine has a molecular weight of 257.74 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-(6-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 89427828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).