hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate

C9H19N3O2 — CID 66337111

IUPAChydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
SMILESCC1CCN(CCC(=O)ONN)CC1
InChIInChI=1S/C9H19N3O2/c1-8-2-5-12(6-3-8)7-4-9(13)14-11-10/h8,11H,2-7,10H2,1H3
InChIKeyHAAFEMRSXNAIKI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.03
Rot. Bonds4

About hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate

hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate (PubChem CID 66337111) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
PubChem CID66337111
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namehydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
SMILESCC1CCN(CCC(=O)ONN)CC1
InChIInChI=1S/C9H19N3O2/c1-8-2-5-12(6-3-8)7-4-9(13)14-11-10/h8,11H,2-7,10H2,1H3
InChIKeyHAAFEMRSXNAIKI-UHFFFAOYSA-N
XLogP0.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate (CID 66337111) is hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate is CC1CCN(CCC(=O)ONN)CC1.
What is the InChIKey of hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate?
The InChIKey is HAAFEMRSXNAIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-8-2-5-12(6-3-8)7-4-9(13)14-11-10/h8,11H,2-7,10H2,1H3.
What are the key properties of hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate?
hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 66337111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).