N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide

C12H17N3O — CID 2768474

IUPACN'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1ccccc1N1CCCCC1
InChIInChI=1S/C12H17N3O/c13-12(14-16)10-6-2-3-7-11(10)15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-9H2,(H2,13,14)
InChIKeyNNFWEUCFGSDCTC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.77
Rot. Bonds2

About N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide

N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide (PubChem CID 2768474) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide
PubChem CID2768474
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide
SMILESNC(=NO)c1ccccc1N1CCCCC1
InChIInChI=1S/C12H17N3O/c13-12(14-16)10-6-2-3-7-11(10)15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-9H2,(H2,13,14)
InChIKeyNNFWEUCFGSDCTC-UHFFFAOYSA-N
XLogP1.77
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.77
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-2-piperidin-1-ylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide (CID 2768474) is N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide is NC(=NO)c1ccccc1N1CCCCC1.
What is the InChIKey of N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide?
The InChIKey is NNFWEUCFGSDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(14-16)10-6-2-3-7-11(10)15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-9H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide?
N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 2768474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).