3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide

C16H26N4O — CID 76910073

IUPAC3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CC1CCN(Cc2cccc(C(N)=NO)c2)CC1
InChIInChI=1S/C16H26N4O/c1-19(2)11-13-6-8-20(9-7-13)12-14-4-3-5-15(10-14)16(17)18-21/h3-5,10,13,21H,6-9,11-12H2,1-2H3,(H2,17,18)
InChIKeyXKARMMMLRXVMAD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds5

About 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide

3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76910073) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76910073
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CC1CCN(Cc2cccc(C(N)=NO)c2)CC1
InChIInChI=1S/C16H26N4O/c1-19(2)11-13-6-8-20(9-7-13)12-14-4-3-5-15(10-14)16(17)18-21/h3-5,10,13,21H,6-9,11-12H2,1-2H3,(H2,17,18)
InChIKeyXKARMMMLRXVMAD-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
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'}

Analyze 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 81464000
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732
1-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986245
3-[[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methyl]benzamide
CID 87014882
3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76939940
N,N-dimethyl-1-[1-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]piperidin-4-yl]methanamine
CID 139014423
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76928056
3-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24711714
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (CID 76910073) is 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is CN(C)CC1CCN(Cc2cccc(C(N)=NO)c2)CC1.
What is the InChIKey of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XKARMMMLRXVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)11-13-6-8-20(9-7-13)12-14-4-3-5-15(10-14)16(17)18-21/h3-5,10,13,21H,6-9,11-12H2,1-2H3,(H2,17,18).
What are the key properties of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76910073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).