N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide

C18H29N3O2 — CID 111026080

IUPACN'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESCCOc1ccc(CC/N=C(\N)N2CCCCC2)cc1OCC
InChIInChI=1S/C18H29N3O2/c1-3-22-16-9-8-15(14-17(16)23-4-2)10-11-20-18(19)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20)
InChIKeyGXHYEVJUIPLCCW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.83
Rot. Bonds7

About N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide

N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide (PubChem CID 111026080) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
PubChem CID111026080
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESCCOc1ccc(CC/N=C(\N)N2CCCCC2)cc1OCC
InChIInChI=1S/C18H29N3O2/c1-3-22-16-9-8-15(14-17(16)23-4-2)10-11-20-18(19)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20)
InChIKeyGXHYEVJUIPLCCW-UHFFFAOYSA-N
XLogP2.83
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.83
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'}

Analyze N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111026079
2-[2-(3,4-diethoxyphenyl)ethyl]-1-propan-2-ylguanidine
CID 111026044
2-[2-(3,4-diethoxyphenyl)ethyl]-1-ethylguanidine
CID 111026082
N'-[2-(3-methylphenyl)ethyl]piperidine-1-carboximidamide
CID 111077789
N'-[2-(6-methyl-3-pyridinyl)ethyl]azepane-1-carboximidamide
CID 75513059
N'-[(3-chloro-4-ethoxyphenyl)methyl]azetidine-1-carboximidamide
CID 122096001
N'-[2-(4-chlorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111024810
N'-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111096768
N'-[3-(3-ethoxy-4-methoxyphenyl)propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111826088
N'-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111076048
N'-[(3-ethoxy-4-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111809132
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide (CID 111026080) is N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide is CCOc1ccc(CC/N=C(\N)N2CCCCC2)cc1OCC.
What is the InChIKey of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide?
The InChIKey is GXHYEVJUIPLCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-22-16-9-8-15(14-17(16)23-4-2)10-11-20-18(19)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H2,19,20).
What are the key properties of N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide?
N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-diethoxyphenyl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111026080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).