N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide

C18H29N3O — CID 111211979

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCOCc1ccc(CN/C(=N\C)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-4-22-14-17-7-5-16(6-8-17)13-20-18(19-3)21-11-9-15(2)10-12-21/h5-8,15H,4,9-14H2,1-3H3,(H,19,20)
InChIKeySRQRYANOHQBIIM-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.03
Rot. Bonds5

About N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide

N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide (PubChem CID 111211979) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
PubChem CID111211979
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
SMILESCCOCc1ccc(CN/C(=N\C)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-4-22-14-17-7-5-16(6-8-17)13-20-18(19-3)21-11-9-15(2)10-12-21/h5-8,15H,4,9-14H2,1-3H3,(H,19,20)
InChIKeySRQRYANOHQBIIM-UHFFFAOYSA-N
XLogP3.03
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethoxyethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210627
N',4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-1-carboximidamide
CID 111212093
N-[(4-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210992
N-[(4-chlorophenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212084
N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526281
N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207836
N-[[4-(ethoxymethyl)phenyl]methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide
CID 109485784
ethyl 1-[N'-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156645
N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302680
N-[(4-methoxyphenyl)methyl]-2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide
CID 111210945
N-[[4-(ethoxymethyl)phenyl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111291155
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide (CID 111211979) is N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide is CCOCc1ccc(CN/C(=N\C)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
The InChIKey is SRQRYANOHQBIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-22-14-17-7-5-16(6-8-17)13-20-18(19-3)21-11-9-15(2)10-12-21/h5-8,15H,4,9-14H2,1-3H3,(H,19,20).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide has a molecular weight of 303.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111211979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).