1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine

C12H16FN3 — CID 61444197

IUPAC1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C12H16FN3/c13-11-2-1-3-12(14-11)16-8-6-15(7-9-16)10-4-5-10/h1-3,10H,4-9H2
InChIKeyCMMWCVJKISYLNG-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.51
Rot. Bonds2

About 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine

1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine (PubChem CID 61444197) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
PubChem CID61444197
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C12H16FN3/c13-11-2-1-3-12(14-11)16-8-6-15(7-9-16)10-4-5-10/h1-3,10H,4-9H2
InChIKeyCMMWCVJKISYLNG-UHFFFAOYSA-N
XLogP1.51
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
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 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine (CID 61444197) is 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine is Fc1cccc(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine?
The InChIKey is CMMWCVJKISYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c13-11-2-1-3-12(14-11)16-8-6-15(7-9-16)10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine?
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine has a molecular weight of 221.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 61444197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).