2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide

C8H17N3O2 — CID 130826332

IUPAC2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
SMILESC[C@@H]1C[C@H](O)CN(CC(=O)NN)C1
InChIInChI=1S/C8H17N3O2/c1-6-2-7(12)4-11(3-6)5-8(13)10-9/h6-7,12H,2-5,9H2,1H3,(H,10,13)/t6-,7+/m1/s1
InChIKeyASTQBVFQWNTGHW-RQJHMYQMSA-N
MW187.24 g/mol
LogP-1.32
Rot. Bonds2

About 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide

2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide (PubChem CID 130826332) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
PubChem CID130826332
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide
SMILESC[C@@H]1C[C@H](O)CN(CC(=O)NN)C1
InChIInChI=1S/C8H17N3O2/c1-6-2-7(12)4-11(3-6)5-8(13)10-9/h6-7,12H,2-5,9H2,1H3,(H,10,13)/t6-,7+/m1/s1
InChIKeyASTQBVFQWNTGHW-RQJHMYQMSA-N
XLogP-1.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide?
The IUPAC name of 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide (CID 130826332) is 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide?
The canonical SMILES for 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide is C[C@@H]1C[C@H](O)CN(CC(=O)NN)C1.
What is the InChIKey of 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide?
The InChIKey is ASTQBVFQWNTGHW-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6-2-7(12)4-11(3-6)5-8(13)10-9/h6-7,12H,2-5,9H2,1H3,(H,10,13)/t6-,7+/m1/s1.
What are the key properties of 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide?
2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide has a molecular weight of 187.24 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]acetohydrazide is sourced from PubChem (CID 130826332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).