N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide

C12H17N3O2 — CID 24694925

IUPACN'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17N3O2/c13-12(14-16)11-3-1-2-10(8-11)9-15-4-6-17-7-5-15/h1-3,8,16H,4-7,9H2,(H2,13,14)
InChIKeyDSKSSIOZPZAOAZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds3

About N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide

N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide (PubChem CID 24694925) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
PubChem CID24694925
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17N3O2/c13-12(14-16)11-3-1-2-10(8-11)9-15-4-6-17-7-5-15/h1-3,8,16H,4-7,9H2,(H2,13,14)
InChIKeyDSKSSIOZPZAOAZ-UHFFFAOYSA-N
XLogP0.61
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 126799666
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 81464000
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
2-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]guanidine
CID 168590992

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide (CID 24694925) is N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide is N/C(=N\O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
The InChIKey is DSKSSIOZPZAOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(14-16)11-3-1-2-10(8-11)9-15-4-6-17-7-5-15/h1-3,8,16H,4-7,9H2,(H2,13,14).
What are the key properties of N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide?
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 24694925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).