1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C17H21F3N4O2 — CID 171556704

IUPAC1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.OC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C12H17NO2.C5H4F3N3/c14-11-6-7-13(9-12(11)15)8-10-4-2-1-3-5-10;6-5(7,8)3-1-10-2-4(9)11-3/h1-5,11-12,14-15H,6-9H2;1-2H,(H2,9,11)
InChIKeyBCCQKTAXLHEGAF-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.69
Rot. Bonds2

About 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556704) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556704
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.OC1CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C12H17NO2.C5H4F3N3/c14-11-6-7-13(9-12(11)15)8-10-4-2-1-3-5-10;6-5(7,8)3-1-10-2-4(9)11-3/h1-5,11-12,14-15H,6-9H2;1-2H,(H2,9,11)
InChIKeyBCCQKTAXLHEGAF-UHFFFAOYSA-N
XLogP1.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171556704) is 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.OC1CCN(Cc2ccccc2)CC1O.
What is the InChIKey of 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is BCCQKTAXLHEGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C5H4F3N3/c14-11-6-7-13(9-12(11)15)8-10-4-2-1-3-5-10;6-5(7,8)3-1-10-2-4(9)11-3/h1-5,11-12,14-15H,6-9H2;1-2H,(H2,9,11).
What are the key properties of 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 370.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).