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

C9H15N3O — CID 135404219

IUPAC2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H15N3O/c1-7-4-3-5-8(2)12(7)9(13)6-11-10/h6-8H,3-5H2,1-2H3/t7-,8+
InChIKeyFHFBZPQXJUSHPH-OCAPTIKFSA-N
MW181.24 g/mol
LogP1.08
Rot. Bonds1

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

2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 135404219) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID135404219
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H15N3O/c1-7-4-3-5-8(2)12(7)9(13)6-11-10/h6-8H,3-5H2,1-2H3/t7-,8+
InChIKeyFHFBZPQXJUSHPH-OCAPTIKFSA-N
XLogP1.08
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (CID 135404219) is 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is FHFBZPQXJUSHPH-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-4-3-5-8(2)12(7)9(13)6-11-10/h6-8H,3-5H2,1-2H3/t7-,8+.
What are the key properties of 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 181.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 135404219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).