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

C14H16FN5 — CID 62734933

IUPAC6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3ncccc3F)CC2)nc1
InChIInChI=1S/C14H16FN5/c15-12-2-1-5-17-14(12)20-8-6-19(7-9-20)13-4-3-11(16)10-18-13/h1-5,10H,6-9,16H2
InChIKeyQLBCBSMAUIILPK-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.52
Rot. Bonds2

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

6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 62734933) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
PubChem CID62734933
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3ncccc3F)CC2)nc1
InChIInChI=1S/C14H16FN5/c15-12-2-1-5-17-14(12)20-8-6-19(7-9-20)13-4-3-11(16)10-18-13/h1-5,10H,6-9,16H2
InChIKeyQLBCBSMAUIILPK-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine (CID 62734933) is 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is Nc1ccc(N2CCN(c3ncccc3F)CC2)nc1.
What is the InChIKey of 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is QLBCBSMAUIILPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c15-12-2-1-5-17-14(12)20-8-6-19(7-9-20)13-4-3-11(16)10-18-13/h1-5,10H,6-9,16H2.
What are the key properties of 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine?
6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 273.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 62734933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).