N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

C21H36N4O — CID 111958183

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCC(c2ccc(CC)cc2)N(C)C)CC1
InChIInChI=1S/C21H36N4O/c1-6-17-8-10-18(11-9-17)20(24(4)5)16-23-21(22-3)25-14-12-19(13-15-25)26-7-2/h8-11,19-20H,6-7,12-16H2,1-5H3,(H,22,23)
InChIKeyYGICXTBUBAJDPD-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958183) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID111958183
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCC(c2ccc(CC)cc2)N(C)C)CC1
InChIInChI=1S/C21H36N4O/c1-6-17-8-10-18(11-9-17)20(24(4)5)16-23-21(22-3)25-14-12-19(13-15-25)26-7-2/h8-11,19-20H,6-7,12-16H2,1-5H3,(H,22,23)
InChIKeyYGICXTBUBAJDPD-UHFFFAOYSA-N
XLogP2.93
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.93
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-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759
4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540
N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959546
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446903
N-[2-(dimethylamino)-2-phenylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209926
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448362
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
N-[2-(diethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958943
N-[3-(4-chlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960653

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (CID 111958183) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCC(c2ccc(CC)cc2)N(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is YGICXTBUBAJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-6-17-8-10-18(11-9-17)20(24(4)5)16-23-21(22-3)25-14-12-19(13-15-25)26-7-2/h8-11,19-20H,6-7,12-16H2,1-5H3,(H,22,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 360.55 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).