3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide

C10H21N3O2 — CID 107395837

IUPAC3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
SMILESCOC1(C)CCCN(CCC(=O)NN)C1
InChIInChI=1S/C10H21N3O2/c1-10(15-2)5-3-6-13(8-10)7-4-9(14)12-11/h3-8,11H2,1-2H3,(H,12,14)
InChIKeyHXIYDRILBOJTDJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.13
Rot. Bonds4

About 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide

3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide (PubChem CID 107395837) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
PubChem CID107395837
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
SMILESCOC1(C)CCCN(CCC(=O)NN)C1
InChIInChI=1S/C10H21N3O2/c1-10(15-2)5-3-6-13(8-10)7-4-9(14)12-11/h3-8,11H2,1-2H3,(H,12,14)
InChIKeyHXIYDRILBOJTDJ-UHFFFAOYSA-N
XLogP-0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide?
The IUPAC name of 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide (CID 107395837) is 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide is COC1(C)CCCN(CCC(=O)NN)C1.
What is the InChIKey of 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide?
The InChIKey is HXIYDRILBOJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(15-2)5-3-6-13(8-10)7-4-9(14)12-11/h3-8,11H2,1-2H3,(H,12,14).
What are the key properties of 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide?
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide has a molecular weight of 215.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide is sourced from PubChem (CID 107395837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).