N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide

C18H29N3O — CID 111143808

IUPACN-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccc(OC)c1)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O/c1-4-19-18(21-12-6-7-15(2)14-21)20-11-10-16-8-5-9-17(13-16)22-3/h5,8-9,13,15H,4,6-7,10-12,14H2,1-3H3,(H,19,20)
InChIKeyZOXWXDIYZLJCHE-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide

N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111143808) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111143808
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccc(OC)c1)N1CCCC(C)C1
InChIInChI=1S/C18H29N3O/c1-4-19-18(21-12-6-7-15(2)14-21)20-11-10-16-8-5-9-17(13-16)22-3/h5,8-9,13,15H,4,6-7,10-12,14H2,1-3H3,(H,19,20)
InChIKeyZOXWXDIYZLJCHE-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-ethyl-N'-[2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 110956806
N-ethyl-N'-[3-(3-methoxyphenyl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956437
N-ethyl-4-(3-methoxyphenyl)-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboximidamide
CID 111290933
N-ethyl-N'-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111143828
methyl 4-[2-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]benzoate;hydroiodide
CID 111143831
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301809
N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145705
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111501931
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377233
N-ethyl-N'-[3-(3-methoxyphenyl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742022
N-ethyl-4-(furan-2-carbonyl)-N'-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 111166181
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 111143808) is N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide is CCN/C(=N\CCc1cccc(OC)c1)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is ZOXWXDIYZLJCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-19-18(21-12-6-7-15(2)14-21)20-11-10-16-8-5-9-17(13-16)22-3/h5,8-9,13,15H,4,6-7,10-12,14H2,1-3H3,(H,19,20).
What are the key properties of N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide?
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 303.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111143808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).