(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine

C12H19FN4 — CID 129078090

IUPAC(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1cc(N2CCN(C)CC2)ncc1F
InChIInChI=1S/C12H19FN4/c1-9(14)10-7-12(15-8-11(10)13)17-5-3-16(2)4-6-17/h7-9H,3-6,14H2,1-2H3/t9-/m1/s1
InChIKeyMFWUZRHHQHEZTE-SECBINFHSA-N
MW238.31 g/mol
LogP0.99
Rot. Bonds2

About (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine

(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine (PubChem CID 129078090) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine
PubChem CID129078090
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine
SMILESC[C@@H](N)c1cc(N2CCN(C)CC2)ncc1F
InChIInChI=1S/C12H19FN4/c1-9(14)10-7-12(15-8-11(10)13)17-5-3-16(2)4-6-17/h7-9H,3-6,14H2,1-2H3/t9-/m1/s1
InChIKeyMFWUZRHHQHEZTE-SECBINFHSA-N
XLogP0.99
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine (CID 129078090) is (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine is C[C@@H](N)c1cc(N2CCN(C)CC2)ncc1F.
What is the InChIKey of (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine?
The InChIKey is MFWUZRHHQHEZTE-SECBINFHSA-N. The full InChI is InChI=1S/C12H19FN4/c1-9(14)10-7-12(15-8-11(10)13)17-5-3-16(2)4-6-17/h7-9H,3-6,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine?
(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanamine is sourced from PubChem (CID 129078090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).