N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

C18H27Cl2N3O — CID 111958911

IUPACN-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCC(C)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H27Cl2N3O/c1-4-24-14-8-10-23(11-9-14)18(21-3)22-12-13(2)17-15(19)6-5-7-16(17)20/h5-7,13-14H,4,8-12H2,1-3H3,(H,21,22)
InChIKeyFXXZDVOFDIVDIT-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.17
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide

N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958911) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID111958911
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC NameN-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCC(C)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H27Cl2N3O/c1-4-24-14-8-10-23(11-9-14)18(21-3)22-12-13(2)17-15(19)6-5-7-16(17)20/h5-7,13-14H,4,8-12H2,1-3H3,(H,21,22)
InChIKeyFXXZDVOFDIVDIT-UHFFFAOYSA-N
XLogP4.17
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.17
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

4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
N-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960053
4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111959415
4-ethoxy-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide
CID 111960665
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958183
N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959546
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-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide (CID 111958911) is N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCC(C)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is FXXZDVOFDIVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O/c1-4-24-14-8-10-23(11-9-14)18(21-3)22-12-13(2)17-15(19)6-5-7-16(17)20/h5-7,13-14H,4,8-12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 372.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).