N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide

C11H24N4O — CID 77032158

IUPACN'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
SMILESCN1CCCC(CNCCCC(N)=NO)C1
InChIInChI=1S/C11H24N4O/c1-15-7-3-4-10(9-15)8-13-6-2-5-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeySKIHKPCIHVEALK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.44
Rot. Bonds6

About N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide

N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide (PubChem CID 77032158) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
PubChem CID77032158
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
SMILESCN1CCCC(CNCCCC(N)=NO)C1
InChIInChI=1S/C11H24N4O/c1-15-7-3-4-10(9-15)8-13-6-2-5-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeySKIHKPCIHVEALK-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
CID 104931982
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide (CID 77032158) is N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide is CN1CCCC(CNCCCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
The InChIKey is SKIHKPCIHVEALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-15-7-3-4-10(9-15)8-13-6-2-5-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide is sourced from PubChem (CID 77032158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).