N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide

C12H17N5O — CID 174013338

IUPACN'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H17N5O/c13-12(16-17-14)9-1-3-10(4-2-9)18-11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H3,13,14,16)
InChIKeyFKLCSGIGCQBPCZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.47
Rot. Bonds4

About N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide

N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide (PubChem CID 174013338) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide
PubChem CID174013338
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C12H17N5O/c13-12(16-17-14)9-1-3-10(4-2-9)18-11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H3,13,14,16)
InChIKeyFKLCSGIGCQBPCZ-UHFFFAOYSA-N
XLogP1.47
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide?
The IUPAC name of N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide (CID 174013338) is N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide.
What is the SMILES notation for N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide?
The canonical SMILES for N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide is [H]/N=N/N=C(N)c1ccc(OC2CCNCC2)cc1.
What is the InChIKey of N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide?
The InChIKey is FKLCSGIGCQBPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-12(16-17-14)9-1-3-10(4-2-9)18-11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H3,13,14,16).
What are the key properties of N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide?
N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide has a molecular weight of 247.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide is sourced from PubChem (CID 174013338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).