(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol

C13H18F3N3O — CID 99855106

IUPAC(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
SMILESCc1cnc(C)c(N2CCC([C@H](O)C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-8-7-17-9(2)12(18-8)19-5-3-10(4-6-19)11(20)13(14,15)16/h7,10-11,20H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyIAKZLMGPXSSVRI-NSHDSACASA-N
MW289.30 g/mol
LogP2.23
Rot. Bonds2

About (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol

(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol (PubChem CID 99855106) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
PubChem CID99855106
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
SMILESCc1cnc(C)c(N2CCC([C@H](O)C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3O/c1-8-7-17-9(2)12(18-8)19-5-3-10(4-6-19)11(20)13(14,15)16/h7,10-11,20H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyIAKZLMGPXSSVRI-NSHDSACASA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol (CID 99855106) is (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol is Cc1cnc(C)c(N2CCC([C@H](O)C(F)(F)F)CC2)n1.
What is the InChIKey of (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol?
The InChIKey is IAKZLMGPXSSVRI-NSHDSACASA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-7-17-9(2)12(18-8)19-5-3-10(4-6-19)11(20)13(14,15)16/h7,10-11,20H,3-6H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol?
(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol has a molecular weight of 289.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 99855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).