3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide

C10H22N3O+ — CID 2360214

IUPAC3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide
SMILESC[C@@H]1CCC[C@H](C)[NH+]1CCC(=O)NN
InChIInChI=1S/C10H21N3O/c1-8-4-3-5-9(2)13(8)7-6-10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)/p+1/t8-,9+
InChIKeyHLOUAWBRMBXWTR-DTORHVGOSA-O
MW200.31 g/mol
LogP-0.79
Rot. Bonds3

About 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide

3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide (PubChem CID 2360214) has the molecular formula C10H22N3O+ and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide
PubChem CID2360214
Molecular FormulaC10H22N3O+
Molecular Weight200.31 g/mol
Exact Mass200.18
IUPAC Name3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide
SMILESC[C@@H]1CCC[C@H](C)[NH+]1CCC(=O)NN
InChIInChI=1S/C10H21N3O/c1-8-4-3-5-9(2)13(8)7-6-10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)/p+1/t8-,9+
InChIKeyHLOUAWBRMBXWTR-DTORHVGOSA-O
XLogP-0.79
TPSA59.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide (CID 2360214) is 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide is C[C@@H]1CCC[C@H](C)[NH+]1CCC(=O)NN.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide?
The InChIKey is HLOUAWBRMBXWTR-DTORHVGOSA-O. The full InChI is InChI=1S/C10H21N3O/c1-8-4-3-5-9(2)13(8)7-6-10(14)12-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)/p+1/t8-,9+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide?
3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide has a molecular weight of 200.31 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide is sourced from PubChem (CID 2360214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).