N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide

C19H31N3O2 — CID 111210107

IUPACN'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cc(OC)ccc1OC)N1CCC(C)CC1
InChIInChI=1S/C19H31N3O2/c1-5-20-19(22-12-9-15(2)10-13-22)21-11-8-16-14-17(23-3)6-7-18(16)24-4/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,21)
InChIKeyPHPXINVKEJNQDA-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.94
Rot. Bonds6

About N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide

N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide (PubChem CID 111210107) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
PubChem CID111210107
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cc(OC)ccc1OC)N1CCC(C)CC1
InChIInChI=1S/C19H31N3O2/c1-5-20-19(22-12-9-15(2)10-13-22)21-11-8-16-14-17(23-3)6-7-18(16)24-4/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,21)
InChIKeyPHPXINVKEJNQDA-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.94
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

ethyl 4-[N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163371
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526377
N'-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111211849
ethyl 1-[N-ethyl-N'-[2-(2-methoxy-5-methylphenyl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156538
ethyl 4-[[N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327527
N-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111211038
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111143808
N-ethyl-N'-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447605
4-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111303176
N'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111980029
4-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N'-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 111303014
4-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N'-(5-methoxypentyl)piperazine-1-carboximidamide;hydroiodide
CID 111303478

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide (CID 111210107) is N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide is CCN/C(=N\CCc1cc(OC)ccc1OC)N1CCC(C)CC1.
What is the InChIKey of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide?
The InChIKey is PHPXINVKEJNQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-20-19(22-12-9-15(2)10-13-22)21-11-8-16-14-17(23-3)6-7-18(16)24-4/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,21).
What are the key properties of N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide?
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide has a molecular weight of 333.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111210107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).