2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide

C14H29N3O — CID 55212673

IUPAC2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide
SMILESCCC1(CC)CCN(C(C(=O)NN)C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-14(6-2)7-9-17(10-8-14)12(11(3)4)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyZTRDPDVFBYGZNJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.90
Rot. Bonds5

About 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide

2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide (PubChem CID 55212673) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide
PubChem CID55212673
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide
SMILESCCC1(CC)CCN(C(C(=O)NN)C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-14(6-2)7-9-17(10-8-14)12(11(3)4)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyZTRDPDVFBYGZNJ-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide (CID 55212673) is 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide is CCC1(CC)CCN(C(C(=O)NN)C(C)C)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide?
The InChIKey is ZTRDPDVFBYGZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-14(6-2)7-9-17(10-8-14)12(11(3)4)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide?
2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide has a molecular weight of 255.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide is sourced from PubChem (CID 55212673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).