3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide

C12H25N3O — CID 79409641

IUPAC3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
SMILESCC1CC(C)CN(C(C)C(C)C(=O)NN)C1
InChIInChI=1S/C12H25N3O/c1-8-5-9(2)7-15(6-8)11(4)10(3)12(16)14-13/h8-11H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyOWEGAKBXDHXRQE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.98
Rot. Bonds3

About 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide

3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide (PubChem CID 79409641) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
PubChem CID79409641
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
SMILESCC1CC(C)CN(C(C)C(C)C(=O)NN)C1
InChIInChI=1S/C12H25N3O/c1-8-5-9(2)7-15(6-8)11(4)10(3)12(16)14-13/h8-11H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyOWEGAKBXDHXRQE-UHFFFAOYSA-N
XLogP0.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.98
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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Related Compounds

2-methyl-3-thiomorpholin-4-ylbutanehydrazide
CID 79408786
3-methyl-2-(3-methylpyrrolidin-1-yl)butanehydrazide
CID 63572855
2-(3-amino-5-methylpiperidin-1-yl)-N-methylpropanamide
CID 79993684
2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 79408685
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 79994470
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
3-(2-ethylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408999
2-[1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)piperidin-4-yl]acetamide
CID 79409446

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide (CID 79409641) is 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide is CC1CC(C)CN(C(C)C(C)C(=O)NN)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide?
The InChIKey is OWEGAKBXDHXRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-8-5-9(2)7-15(6-8)11(4)10(3)12(16)14-13/h8-11H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide?
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide is sourced from PubChem (CID 79409641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).