2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide

C11H20F3N3O — CID 79630886

IUPAC2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
SMILESCC(C)(CN1CCCC(C(F)(F)F)C1)C(=O)NN
InChIInChI=1S/C11H20F3N3O/c1-10(2,9(18)16-15)7-17-5-3-4-8(6-17)11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyYFPLEXHRYWDTCT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.28
Rot. Bonds3

About 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide

2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide (PubChem CID 79630886) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
PubChem CID79630886
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide
SMILESCC(C)(CN1CCCC(C(F)(F)F)C1)C(=O)NN
InChIInChI=1S/C11H20F3N3O/c1-10(2,9(18)16-15)7-17-5-3-4-8(6-17)11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyYFPLEXHRYWDTCT-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide (CID 79630886) is 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide is CC(C)(CN1CCCC(C(F)(F)F)C1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
The InChIKey is YFPLEXHRYWDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-10(2,9(18)16-15)7-17-5-3-4-8(6-17)11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide?
2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide has a molecular weight of 267.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(trifluoromethyl)piperidin-1-yl]propanehydrazide is sourced from PubChem (CID 79630886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).