1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone

C9H19N3O — CID 83004022

IUPAC1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NN(C)C)CC1
InChIInChI=1S/C9H19N3O/c1-8(13)12-6-4-9(5-7-12)10-11(2)3/h9-10H,4-7H2,1-3H3
InChIKeyIYOMBTYHWIZSGE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.06
Rot. Bonds2

About 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone

1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone (PubChem CID 83004022) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone
PubChem CID83004022
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NN(C)C)CC1
InChIInChI=1S/C9H19N3O/c1-8(13)12-6-4-9(5-7-12)10-11(2)3/h9-10H,4-7H2,1-3H3
InChIKeyIYOMBTYHWIZSGE-UHFFFAOYSA-N
XLogP0.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone (CID 83004022) is 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(NN(C)C)CC1.
What is the InChIKey of 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone?
The InChIKey is IYOMBTYHWIZSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(13)12-6-4-9(5-7-12)10-11(2)3/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone?
1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylhydrazinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 83004022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).