2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide

C11H20F3N3O — CID 79408805

IUPAC2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-7(10(18)16-15)8(2)17-5-3-4-9(6-17)11(12,13)14/h7-9H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyYFXSNORGOIQCNL-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.28
Rot. Bonds3

About 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide

2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide (PubChem CID 79408805) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
PubChem CID79408805
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O/c1-7(10(18)16-15)8(2)17-5-3-4-9(6-17)11(12,13)14/h7-9H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyYFXSNORGOIQCNL-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'}

Analyze 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 79408685
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 129429877
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide?
The IUPAC name of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide (CID 79408805) is 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide?
The canonical SMILES for 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide is CC(C(=O)NN)C(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide?
The InChIKey is YFXSNORGOIQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-7(10(18)16-15)8(2)17-5-3-4-9(6-17)11(12,13)14/h7-9H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide?
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide 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-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide is sourced from PubChem (CID 79408805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).