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

C15H17FN4 — CID 3060370

IUPAC4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cnccc1N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H17FN4/c16-12-2-1-3-13(10-12)19-6-8-20(9-7-19)15-4-5-18-11-14(15)17/h1-5,10-11H,6-9,17H2
InChIKeyRNATUMSZJUQAAY-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.13
Rot. Bonds2

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

4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 3060370) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID3060370
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cnccc1N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H17FN4/c16-12-2-1-3-13(10-12)19-6-8-20(9-7-19)15-4-5-18-11-14(15)17/h1-5,10-11H,6-9,17H2
InChIKeyRNATUMSZJUQAAY-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 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine (CID 3060370) is 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine is Nc1cnccc1N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is RNATUMSZJUQAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-12-2-1-3-13(10-12)19-6-8-20(9-7-19)15-4-5-18-11-14(15)17/h1-5,10-11H,6-9,17H2.
What are the key properties of 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine?
4-[4-(3-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 4-[4-(3-fluorophenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 3060370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).