4-ethyl-1-methylpiperidine-4-carbohydrazide

C9H19N3O — CID 116844617

IUPAC4-ethyl-1-methylpiperidine-4-carbohydrazide
SMILESCCC1(C(=O)NN)CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-3-9(8(13)11-10)4-6-12(2)7-5-9/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyHOFUSDQRYPWXDT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.10
Rot. Bonds2

About 4-ethyl-1-methylpiperidine-4-carbohydrazide

4-ethyl-1-methylpiperidine-4-carbohydrazide (PubChem CID 116844617) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-ethyl-1-methylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-1-methylpiperidine-4-carbohydrazide
PubChem CID116844617
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-ethyl-1-methylpiperidine-4-carbohydrazide
SMILESCCC1(C(=O)NN)CCN(C)CC1
InChIInChI=1S/C9H19N3O/c1-3-9(8(13)11-10)4-6-12(2)7-5-9/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyHOFUSDQRYPWXDT-UHFFFAOYSA-N
XLogP0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.10
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 4-ethyl-1-methylpiperidine-4-carbohydrazide?
The IUPAC name of 4-ethyl-1-methylpiperidine-4-carbohydrazide (CID 116844617) is 4-ethyl-1-methylpiperidine-4-carbohydrazide.
What is the SMILES notation for 4-ethyl-1-methylpiperidine-4-carbohydrazide?
The canonical SMILES for 4-ethyl-1-methylpiperidine-4-carbohydrazide is CCC1(C(=O)NN)CCN(C)CC1.
What is the InChIKey of 4-ethyl-1-methylpiperidine-4-carbohydrazide?
The InChIKey is HOFUSDQRYPWXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-9(8(13)11-10)4-6-12(2)7-5-9/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of 4-ethyl-1-methylpiperidine-4-carbohydrazide?
4-ethyl-1-methylpiperidine-4-carbohydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpiperidine-4-carbohydrazide is sourced from PubChem (CID 116844617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).