N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine

C13H19F3N4 — CID 70227072

IUPACN-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCC1CN[C@H](CNc2cnc(C(F)(F)F)cn2)C[C@@H]1C
InChIInChI=1S/C13H19F3N4/c1-8-3-10(17-4-9(8)2)5-19-12-7-18-11(6-20-12)13(14,15)16/h6-10,17H,3-5H2,1-2H3,(H,19,20)/t8-,9?,10-/m0/s1
InChIKeyRFLYPFDVBDCSTE-SMILAEQMSA-N
MW288.32 g/mol
LogP2.54
Rot. Bonds3

About N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 70227072) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID70227072
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESCC1CN[C@H](CNc2cnc(C(F)(F)F)cn2)C[C@@H]1C
InChIInChI=1S/C13H19F3N4/c1-8-3-10(17-4-9(8)2)5-19-12-7-18-11(6-20-12)13(14,15)16/h6-10,17H,3-5H2,1-2H3,(H,19,20)/t8-,9?,10-/m0/s1
InChIKeyRFLYPFDVBDCSTE-SMILAEQMSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 70227072) is N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine is CC1CN[C@H](CNc2cnc(C(F)(F)F)cn2)C[C@@H]1C.
What is the InChIKey of N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is RFLYPFDVBDCSTE-SMILAEQMSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-8-3-10(17-4-9(8)2)5-19-12-7-18-11(6-20-12)13(14,15)16/h6-10,17H,3-5H2,1-2H3,(H,19,20)/t8-,9?,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 70227072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).