6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine

C15H17FN4 — CID 9161640

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C15H17FN4/c16-13-3-1-2-4-14(13)19-7-9-20(10-8-19)15-6-5-12(17)11-18-15/h1-6,11H,7-10,17H2
InChIKeyGYBPELWRXOKCDK-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.13
Rot. Bonds2

About 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine

6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 9161640) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID9161640
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C15H17FN4/c16-13-3-1-2-4-14(13)19-7-9-20(10-8-19)15-6-5-12(17)11-18-15/h1-6,11H,7-10,17H2
InChIKeyGYBPELWRXOKCDK-UHFFFAOYSA-N
XLogP2.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine (CID 9161640) is 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine is Nc1ccc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is GYBPELWRXOKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-13-3-1-2-4-14(13)19-7-9-20(10-8-19)15-6-5-12(17)11-18-15/h1-6,11H,7-10,17H2.
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 272.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 9161640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).