(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide

C9H19N3O — CID 130697867

IUPAC(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
SMILESCC[C@@H]1CC[C@H](C)N(C(=O)NN)C1
InChIInChI=1S/C9H19N3O/c1-3-8-5-4-7(2)12(6-8)9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyUCAPWRUGOSRRTC-JGVFFNPUSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds1

About (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide

(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide (PubChem CID 130697867) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide.

Molecular Properties

Compound Name(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
PubChem CID130697867
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide
SMILESCC[C@@H]1CC[C@H](C)N(C(=O)NN)C1
InChIInChI=1S/C9H19N3O/c1-3-8-5-4-7(2)12(6-8)9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKeyUCAPWRUGOSRRTC-JGVFFNPUSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide?
The IUPAC name of (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide (CID 130697867) is (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide.
What is the SMILES notation for (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide?
The canonical SMILES for (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide is CC[C@@H]1CC[C@H](C)N(C(=O)NN)C1.
What is the InChIKey of (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide?
The InChIKey is UCAPWRUGOSRRTC-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-8-5-4-7(2)12(6-8)9(13)11-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8+/m0/s1.
What are the key properties of (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide?
(2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide has a molecular weight of 185.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-ethyl-2-methylpiperidine-1-carbohydrazide is sourced from PubChem (CID 130697867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).