3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

C15H23N3O — CID 76939940

IUPAC3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CCN(Cc2cccc(C(N)=NO)c2)C(C)C1
InChIInChI=1S/C15H23N3O/c1-11-6-7-18(12(2)8-11)10-13-4-3-5-14(9-13)15(16)17-19/h3-5,9,11-12,19H,6-8,10H2,1-2H3,(H2,16,17)
InChIKeyFCDOOHWZUDHRCQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds3

About 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76939940) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76939940
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CCN(Cc2cccc(C(N)=NO)c2)C(C)C1
InChIInChI=1S/C15H23N3O/c1-11-6-7-18(12(2)8-11)10-13-4-3-5-14(9-13)15(16)17-19/h3-5,9,11-12,19H,6-8,10H2,1-2H3,(H2,16,17)
InChIKeyFCDOOHWZUDHRCQ-UHFFFAOYSA-N
XLogP2.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
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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Related Compounds

3-chloro-4-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666917
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76928056
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 54980627
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426422
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 81464000
[4-[(2,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888056
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 76939940) is 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is CC1CCN(Cc2cccc(C(N)=NO)c2)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FCDOOHWZUDHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-7-18(12(2)8-11)10-13-4-3-5-14(9-13)15(16)17-19/h3-5,9,11-12,19H,6-8,10H2,1-2H3,(H2,16,17).
What are the key properties of 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76939940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).