1-(4-hydrazinylpiperidin-1-yl)propan-1-one

C8H17N3O — CID 123166892

IUPAC1-(4-hydrazinylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(NN)CC1
InChIInChI=1S/C8H17N3O/c1-2-8(12)11-5-3-7(10-9)4-6-11/h7,10H,2-6,9H2,1H3
InChIKeyVFJGTGFKOSASBD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.15
Rot. Bonds2

About 1-(4-hydrazinylpiperidin-1-yl)propan-1-one

1-(4-hydrazinylpiperidin-1-yl)propan-1-one (PubChem CID 123166892) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-hydrazinylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydrazinylpiperidin-1-yl)propan-1-one
PubChem CID123166892
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(4-hydrazinylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(NN)CC1
InChIInChI=1S/C8H17N3O/c1-2-8(12)11-5-3-7(10-9)4-6-11/h7,10H,2-6,9H2,1H3
InChIKeyVFJGTGFKOSASBD-UHFFFAOYSA-N
XLogP-0.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-hydrazinylpiperidin-1-yl)propan-1-one (CID 123166892) is 1-(4-hydrazinylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-hydrazinylpiperidin-1-yl)propan-1-one is CCC(=O)N1CCC(NN)CC1.
What is the InChIKey of 1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
The InChIKey is VFJGTGFKOSASBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-8(12)11-5-3-7(10-9)4-6-11/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-(4-hydrazinylpiperidin-1-yl)propan-1-one?
1-(4-hydrazinylpiperidin-1-yl)propan-1-one has a molecular weight of 171.24 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 123166892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).