N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide

C19H30N4O — CID 111144464

IUPACN',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1ccccc1N1CCOCC1)N1CCCC(C)C1
InChIInChI=1S/C19H30N4O/c1-16-6-5-9-23(15-16)19(20-2)21-14-17-7-3-4-8-18(17)22-10-12-24-13-11-22/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,20,21)
InChIKeyQVSXIMHKTWUTAT-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.33
Rot. Bonds3

About N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide

N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111144464) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID111144464
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1ccccc1N1CCOCC1)N1CCCC(C)C1
InChIInChI=1S/C19H30N4O/c1-16-6-5-9-23(15-16)19(20-2)21-14-17-7-3-4-8-18(17)22-10-12-24-13-11-22/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,20,21)
InChIKeyQVSXIMHKTWUTAT-UHFFFAOYSA-N
XLogP2.33
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
N-[(2-fluorophenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143725
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144335
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
N-[(2-ethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143731
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111146039
N',2,2-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489888
N',3-dimethyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145517

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide (CID 111144464) is N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide is C/N=C(/NCc1ccccc1N1CCOCC1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is QVSXIMHKTWUTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-6-5-9-23(15-16)19(20-2)21-14-17-7-3-4-8-18(17)22-10-12-24-13-11-22/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,20,21).
What are the key properties of N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 330.48 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111144464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).