3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide

C13H28N4O — CID 19609585

IUPAC3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide
SMILESCN1C(C)(C)CC(NCCC(=O)NN)CC1(C)C
InChIInChI=1S/C13H28N4O/c1-12(2)8-10(9-13(3,4)17(12)5)15-7-6-11(18)16-14/h10,15H,6-9,14H2,1-5H3,(H,16,18)
InChIKeyPDCAYTGVSCFNGD-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.61
Rot. Bonds4

About 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide

3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide (PubChem CID 19609585) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide
PubChem CID19609585
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide
SMILESCN1C(C)(C)CC(NCCC(=O)NN)CC1(C)C
InChIInChI=1S/C13H28N4O/c1-12(2)8-10(9-13(3,4)17(12)5)15-7-6-11(18)16-14/h10,15H,6-9,14H2,1-5H3,(H,16,18)
InChIKeyPDCAYTGVSCFNGD-UHFFFAOYSA-N
XLogP0.61
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.61
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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Related Compounds

Oxo-((2,2,6,6-tetramethylpiperidin-4-yl)amino)carbonylacetohydrazide
CID 3086601
3-(2,6-Dimethylpiperidin-1-yl)propanehydrazide
CID 3792022
N-(2,2,6,6-tetramethyl-4-piperidinyl)-N'-aminosuccinamide
CID 14745323
3-hydrazinyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 14745324
N-(2,2,6,6-tetramethyl-4-piperidinyl)-N'-aminoadipamide
CID 14745325
N-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 14745327
3-[Methyl-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]amino]-3-oxopropanamide
CID 17844405
2-[(1,2,2,6,6-Pentamethylpiperidin-4-yl)amino]acetohydrazide
CID 18955669
2-Methyl-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanehydrazide
CID 18955670
4-hydrazinyl-4-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)butanamide
CID 18955673
3-[(1-Acetyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]propanehydrazide
CID 18955674
2-hydrazinyl-2-oxo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 18955679

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide?
The IUPAC name of 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide (CID 19609585) is 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide.
What is the SMILES notation for 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide?
The canonical SMILES for 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide is CN1C(C)(C)CC(NCCC(=O)NN)CC1(C)C.
What is the InChIKey of 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide?
The InChIKey is PDCAYTGVSCFNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-12(2)8-10(9-13(3,4)17(12)5)15-7-6-11(18)16-14/h10,15H,6-9,14H2,1-5H3,(H,16,18).
What are the key properties of 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide?
3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide has a molecular weight of 256.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanehydrazide is sourced from PubChem (CID 19609585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).