N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide

C20H33N3O2 — CID 111210627

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCOCCOCc1cccc(CN/C(=N/C)N2CCC(C)CC2)c1
InChIInChI=1S/C20H33N3O2/c1-4-24-12-13-25-16-19-7-5-6-18(14-19)15-22-20(21-3)23-10-8-17(2)9-11-23/h5-7,14,17H,4,8-13,15-16H2,1-3H3,(H,21,22)
InChIKeyYKWMXJWVTCKCCL-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.05
Rot. Bonds8

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111210627) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111210627
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCOCCOCc1cccc(CN/C(=N/C)N2CCC(C)CC2)c1
InChIInChI=1S/C20H33N3O2/c1-4-24-12-13-25-16-19-7-5-6-18(14-19)15-22-20(21-3)23-10-8-17(2)9-11-23/h5-7,14,17H,4,8-13,15-16H2,1-3H3,(H,21,22)
InChIKeyYKWMXJWVTCKCCL-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

ethyl 4-[N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164190
N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211979
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738437
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387912
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447415
ethyl 1-[N'-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155382
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211952
N',4-dimethyl-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111210601
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110915556
1-[(3-chlorophenyl)methyl]-3-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111176834
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093
3-(methoxymethyl)-N'-methyl-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111737427

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111210627) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide is CCOCCOCc1cccc(CN/C(=N/C)N2CCC(C)CC2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is YKWMXJWVTCKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-24-12-13-25-16-19-7-5-6-18(14-19)15-22-20(21-3)23-10-8-17(2)9-11-23/h5-7,14,17H,4,8-13,15-16H2,1-3H3,(H,21,22).
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 347.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).