N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine

C17H28N2O2 — CID 84749663

IUPACN-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
SMILESCCOc1cc(CNCCOC)ccc1N1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-3-21-17-13-15(14-18-9-12-20-2)7-8-16(17)19-10-5-4-6-11-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3
InChIKeyNJDBSEMJHSKZSL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds8

About N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine

N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine (PubChem CID 84749663) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
PubChem CID84749663
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
SMILESCCOc1cc(CNCCOC)ccc1N1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-3-21-17-13-15(14-18-9-12-20-2)7-8-16(17)19-10-5-4-6-11-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3
InChIKeyNJDBSEMJHSKZSL-UHFFFAOYSA-N
XLogP2.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine 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

2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 84754813
N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]ethanamine
CID 84749782
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81148385
N-[[3-chloro-4-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149247
N-[(3-ethoxy-4-morpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 84749500

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine (CID 84749663) is N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine is CCOc1cc(CNCCOC)ccc1N1CCCCC1.
What is the InChIKey of N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is NJDBSEMJHSKZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-21-17-13-15(14-18-9-12-20-2)7-8-16(17)19-10-5-4-6-11-19/h7-8,13,18H,3-6,9-12,14H2,1-2H3.
What are the key properties of N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine?
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 84749663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).