4-(3-propoxypiperidin-1-yl)pentanehydrazide

C13H27N3O2 — CID 55214252

IUPAC4-(3-propoxypiperidin-1-yl)pentanehydrazide
SMILESCCCOC1CCCN(C(C)CCC(=O)NN)C1
InChIInChI=1S/C13H27N3O2/c1-3-9-18-12-5-4-8-16(10-12)11(2)6-7-13(17)15-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyOFCAKXOPWDYDJH-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.04
Rot. Bonds7

About 4-(3-propoxypiperidin-1-yl)pentanehydrazide

4-(3-propoxypiperidin-1-yl)pentanehydrazide (PubChem CID 55214252) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(3-propoxypiperidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(3-propoxypiperidin-1-yl)pentanehydrazide
PubChem CID55214252
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-(3-propoxypiperidin-1-yl)pentanehydrazide
SMILESCCCOC1CCCN(C(C)CCC(=O)NN)C1
InChIInChI=1S/C13H27N3O2/c1-3-9-18-12-5-4-8-16(10-12)11(2)6-7-13(17)15-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyOFCAKXOPWDYDJH-UHFFFAOYSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.04
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 4-(3-propoxypiperidin-1-yl)pentanehydrazide?
The IUPAC name of 4-(3-propoxypiperidin-1-yl)pentanehydrazide (CID 55214252) is 4-(3-propoxypiperidin-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(3-propoxypiperidin-1-yl)pentanehydrazide?
The canonical SMILES for 4-(3-propoxypiperidin-1-yl)pentanehydrazide is CCCOC1CCCN(C(C)CCC(=O)NN)C1.
What is the InChIKey of 4-(3-propoxypiperidin-1-yl)pentanehydrazide?
The InChIKey is OFCAKXOPWDYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-9-18-12-5-4-8-16(10-12)11(2)6-7-13(17)15-14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(3-propoxypiperidin-1-yl)pentanehydrazide?
4-(3-propoxypiperidin-1-yl)pentanehydrazide has a molecular weight of 257.38 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxypiperidin-1-yl)pentanehydrazide is sourced from PubChem (CID 55214252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).