2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide

C9H19N3O — CID 68907868

IUPAC2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)NN
InChIInChI=1S/C9H19N3O/c1-7-4-3-5-8(2)12(7)6-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8+
InChIKeyNYNYIQNURUQOPL-OCAPTIKFSA-N
MW185.27 g/mol
LogP0.24
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide

2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide (PubChem CID 68907868) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide
PubChem CID68907868
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)NN
InChIInChI=1S/C9H19N3O/c1-7-4-3-5-8(2)12(7)6-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8+
InChIKeyNYNYIQNURUQOPL-OCAPTIKFSA-N
XLogP0.24
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 ≤ 50.24
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-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide (CID 68907868) is 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide is C[C@@H]1CCC[C@H](C)N1CC(=O)NN.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide?
The InChIKey is NYNYIQNURUQOPL-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-4-3-5-8(2)12(7)6-9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide?
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide has a molecular weight of 185.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]acetohydrazide is sourced from PubChem (CID 68907868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).