N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide

C15H22N4O2 — CID 111144184

IUPACN',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc([N+](=O)[O-])c1)N1CCCC(C)C1
InChIInChI=1S/C15H22N4O2/c1-12-5-4-8-18(11-12)15(16-2)17-10-13-6-3-7-14(9-13)19(20)21/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,16,17)
InChIKeyOGUWMJBXWUKPSX-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.40
Rot. Bonds3

About N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide

N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111144184) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide
PubChem CID111144184
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc([N+](=O)[O-])c1)N1CCCC(C)C1
InChIInChI=1S/C15H22N4O2/c1-12-5-4-8-18(11-12)15(16-2)17-10-13-6-3-7-14(9-13)19(20)21/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,16,17)
InChIKeyOGUWMJBXWUKPSX-UHFFFAOYSA-N
XLogP2.40
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.40
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',3-dimethyl-N-[(3-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145047
N'-methyl-N-[(3-nitrophenyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527333
N'-methyl-N-[(3-nitrophenyl)methyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748830
N-[3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111145359
4-[2-(azepan-1-yl)-2-oxoethyl]-N'-methyl-N-[(3-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111419624
N'-methyl-N-[(3-nitrophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111419834
N'-methyl-4-(3-methylphenyl)-N-[(3-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 111421361
N-butan-2-yl-3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111144045
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144724
4-(4-methoxyphenyl)-N'-methyl-N-[(3-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 111242847
N',3-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111144848
N'-methyl-N-[(3-nitrophenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263714

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide (CID 111144184) is N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide is C/N=C(/NCc1cccc([N+](=O)[O-])c1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is OGUWMJBXWUKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-5-4-8-18(11-12)15(16-2)17-10-13-6-3-7-14(9-13)19(20)21/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide?
N',3-dimethyl-N-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 2.40, 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-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111144184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).