N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide

C15H23N3O3 — CID 82015571

IUPACN'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CN1CCC(OCCO)CC1
InChIInChI=1S/C15H23N3O3/c16-15(17-20)14-4-2-1-3-12(14)11-18-7-5-13(6-8-18)21-10-9-19/h1-4,13,19-20H,5-11H2,(H2,16,17)
InChIKeyGVHBWNVXEUULDY-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.75
Rot. Bonds6

About N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide

N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 82015571) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID82015571
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1CN1CCC(OCCO)CC1
InChIInChI=1S/C15H23N3O3/c16-15(17-20)14-4-2-1-3-12(14)11-18-7-5-13(6-8-18)21-10-9-19/h1-4,13,19-20H,5-11H2,(H2,16,17)
InChIKeyGVHBWNVXEUULDY-UHFFFAOYSA-N
XLogP0.75
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
N'-hydroxy-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 77073352
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005
N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781413
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359
2-fluoro-N'-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107116369
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61287384
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide (CID 82015571) is N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide is N/C(=N/O)c1ccccc1CN1CCC(OCCO)CC1.
What is the InChIKey of N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is GVHBWNVXEUULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-15(17-20)14-4-2-1-3-12(14)11-18-7-5-13(6-8-18)21-10-9-19/h1-4,13,19-20H,5-11H2,(H2,16,17).
What are the key properties of N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide?
N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 82015571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).