N'-hydroxy-3-piperidin-1-ylpropanimidamide

C8H17N3O — CID 7358324

IUPACN'-hydroxy-3-piperidin-1-ylpropanimidamide
SMILESN/C(CCN1CCCCC1)=N\O
InChIInChI=1S/C8H17N3O/c9-8(10-12)4-7-11-5-2-1-3-6-11/h12H,1-7H2,(H2,9,10)
InChIKeyIFVRGSVHHSCKIS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.61
Rot. Bonds3

About N'-hydroxy-3-piperidin-1-ylpropanimidamide

N'-hydroxy-3-piperidin-1-ylpropanimidamide (PubChem CID 7358324) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-hydroxy-3-piperidin-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-piperidin-1-ylpropanimidamide
PubChem CID7358324
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-hydroxy-3-piperidin-1-ylpropanimidamide
SMILESN/C(CCN1CCCCC1)=N\O
InChIInChI=1S/C8H17N3O/c9-8(10-12)4-7-11-5-2-1-3-6-11/h12H,1-7H2,(H2,9,10)
InChIKeyIFVRGSVHHSCKIS-UHFFFAOYSA-N
XLogP0.61
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-3-piperidin-1-ylpropanimidamide?
The IUPAC name of N'-hydroxy-3-piperidin-1-ylpropanimidamide (CID 7358324) is N'-hydroxy-3-piperidin-1-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-piperidin-1-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-piperidin-1-ylpropanimidamide is N/C(CCN1CCCCC1)=N\O.
What is the InChIKey of N'-hydroxy-3-piperidin-1-ylpropanimidamide?
The InChIKey is IFVRGSVHHSCKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10-12)4-7-11-5-2-1-3-6-11/h12H,1-7H2,(H2,9,10).
What are the key properties of N'-hydroxy-3-piperidin-1-ylpropanimidamide?
N'-hydroxy-3-piperidin-1-ylpropanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-piperidin-1-ylpropanimidamide is sourced from PubChem (CID 7358324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).