3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine

C13H19F3N4 — CID 125025118

IUPAC3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1C[C@@H]1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)3-7-20-6-1-2-10(9-20)8-11-12(17)19-5-4-18-11/h4-5,10H,1-3,6-9H2,(H2,17,19)/t10-/m0/s1
InChIKeyZKEZVWAKJDAUJU-JTQLQIEISA-N
MW288.32 g/mol
LogP2.27
Rot. Bonds4

About 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine

3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 125025118) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID125025118
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1C[C@@H]1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)3-7-20-6-1-2-10(9-20)8-11-12(17)19-5-4-18-11/h4-5,10H,1-3,6-9H2,(H2,17,19)/t10-/m0/s1
InChIKeyZKEZVWAKJDAUJU-JTQLQIEISA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine (CID 125025118) is 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine is Nc1nccnc1C[C@@H]1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is ZKEZVWAKJDAUJU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)3-7-20-6-1-2-10(9-20)8-11-12(17)19-5-4-18-11/h4-5,10H,1-3,6-9H2,(H2,17,19)/t10-/m0/s1.
What are the key properties of 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine?
3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 125025118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).