N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine

C12H15F5N4 — CID 130298583

IUPACN-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@H]1CC(F)(F)CN[C@@H]1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F5N4/c1-7-2-11(13,14)6-21-8(7)3-19-10-5-18-9(4-20-10)12(15,16)17/h4-5,7-8,21H,2-3,6H2,1H3,(H,19,20)/t7-,8-/m1/s1
InChIKeyRLYMARBKLAEIKW-HTQZYQBOSA-N
MW310.27 g/mol
LogP2.54
Rot. Bonds3

About N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 130298583) has the molecular formula C12H15F5N4 and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID130298583
Molecular FormulaC12H15F5N4
Molecular Weight310.27 g/mol
Exact Mass310.12
IUPAC NameN-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@H]1CC(F)(F)CN[C@@H]1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F5N4/c1-7-2-11(13,14)6-21-8(7)3-19-10-5-18-9(4-20-10)12(15,16)17/h4-5,7-8,21H,2-3,6H2,1H3,(H,19,20)/t7-,8-/m1/s1
InChIKeyRLYMARBKLAEIKW-HTQZYQBOSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
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,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 130298583) is N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine is C[C@@H]1CC(F)(F)CN[C@@H]1CNc1cnc(C(F)(F)F)cn1.
What is the InChIKey of N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is RLYMARBKLAEIKW-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H15F5N4/c1-7-2-11(13,14)6-21-8(7)3-19-10-5-18-9(4-20-10)12(15,16)17/h4-5,7-8,21H,2-3,6H2,1H3,(H,19,20)/t7-,8-/m1/s1.
What are the key properties of N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 310.27 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,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 130298583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).