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

C12H16BrF5N4 — CID 130298582

IUPACN-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide
SMILESBr.C[C@@H]1CC(F)(F)CN[C@@H]1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F5N4.BrH/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);1H/t7-,8-;/m1./s1
InChIKeyAKIZLDZELNBEEW-SCLLHFNJSA-N
MW391.18 g/mol
LogP3.12
Rot. Bonds3

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

N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide (PubChem CID 130298582) has the molecular formula C12H16BrF5N4 and a molecular weight of 391.18 g/mol. Its IUPAC name is N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide.

Molecular Properties

Compound NameN-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide
PubChem CID130298582
Molecular FormulaC12H16BrF5N4
Molecular Weight391.18 g/mol
Exact Mass390.05
IUPAC NameN-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide
SMILESBr.C[C@@H]1CC(F)(F)CN[C@@H]1CNc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F5N4.BrH/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);1H/t7-,8-;/m1./s1
InChIKeyAKIZLDZELNBEEW-SCLLHFNJSA-N
XLogP3.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 53.12
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;hydrobromide?
The IUPAC name of N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide (CID 130298582) is N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide.
What is the SMILES notation for N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide?
The canonical SMILES for N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide is Br.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;hydrobromide?
The InChIKey is AKIZLDZELNBEEW-SCLLHFNJSA-N. The full InChI is InChI=1S/C12H15F5N4.BrH/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);1H/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;hydrobromide?
N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrobromide has a molecular weight of 391.18 g/mol, XLogP of 3.12, 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;hydrobromide is sourced from PubChem (CID 130298582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).