2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide

C7H15N5O3 — CID 20591909

IUPAC2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide
SMILESCNC1CCCN(/C(N)=N/[N+](=O)[O-])C1O
InChIInChI=1S/C7H15N5O3/c1-9-5-3-2-4-11(6(5)13)7(8)10-12(14)15/h5-6,9,13H,2-4H2,1H3,(H2,8,10)
InChIKeyGYTLFCMCZUEMCU-UHFFFAOYSA-N
MW217.23 g/mol
LogP-1.50
Rot. Bonds2

About 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide

2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide (PubChem CID 20591909) has the molecular formula C7H15N5O3 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide.

Molecular Properties

Compound Name2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide
PubChem CID20591909
Molecular FormulaC7H15N5O3
Molecular Weight217.23 g/mol
Exact Mass217.12
IUPAC Name2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide
SMILESCNC1CCCN(/C(N)=N/[N+](=O)[O-])C1O
InChIInChI=1S/C7H15N5O3/c1-9-5-3-2-4-11(6(5)13)7(8)10-12(14)15/h5-6,9,13H,2-4H2,1H3,(H2,8,10)
InChIKeyGYTLFCMCZUEMCU-UHFFFAOYSA-N
XLogP-1.50
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide?
The IUPAC name of 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide (CID 20591909) is 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide.
What is the SMILES notation for 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide?
The canonical SMILES for 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide is CNC1CCCN(/C(N)=N/[N+](=O)[O-])C1O.
What is the InChIKey of 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide?
The InChIKey is GYTLFCMCZUEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O3/c1-9-5-3-2-4-11(6(5)13)7(8)10-12(14)15/h5-6,9,13H,2-4H2,1H3,(H2,8,10).
What are the key properties of 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide?
2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide has a molecular weight of 217.23 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(methylamino)-N'-nitropiperidine-1-carboximidamide is sourced from PubChem (CID 20591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).