1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine

C12H15F5N4 — CID 177168089

IUPAC1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine
SMILESCN(N)c1ccc(C(F)(F)F)c(N2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H15F5N4/c1-20(18)9-4-3-8(12(15,16)17)10(19-9)21-6-2-5-11(13,14)7-21/h3-4H,2,5-7,18H2,1H3
InChIKeyYLSRCGZYTLKMPL-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.65
Rot. Bonds2

About 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine

1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine (PubChem CID 177168089) has the molecular formula C12H15F5N4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine
PubChem CID177168089
Molecular FormulaC12H15F5N4
Molecular Weight310.27 g/mol
Exact Mass310.12
IUPAC Name1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine
SMILESCN(N)c1ccc(C(F)(F)F)c(N2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H15F5N4/c1-20(18)9-4-3-8(12(15,16)17)10(19-9)21-6-2-5-11(13,14)7-21/h3-4H,2,5-7,18H2,1H3
InChIKeyYLSRCGZYTLKMPL-UHFFFAOYSA-N
XLogP2.65
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine?
The IUPAC name of 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine (CID 177168089) is 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine.
What is the SMILES notation for 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine?
The canonical SMILES for 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine is CN(N)c1ccc(C(F)(F)F)c(N2CCCC(F)(F)C2)n1.
What is the InChIKey of 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine?
The InChIKey is YLSRCGZYTLKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N4/c1-20(18)9-4-3-8(12(15,16)17)10(19-9)21-6-2-5-11(13,14)7-21/h3-4H,2,5-7,18H2,1H3.
What are the key properties of 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine?
1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine has a molecular weight of 310.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluoropiperidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-1-methylhydrazine is sourced from PubChem (CID 177168089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).