2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine

C16H26N2O2 — CID 84754658

IUPAC2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-19-11-8-17-13-14-6-7-15(16(12-14)20-2)18-9-4-3-5-10-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3
InChIKeyYAWSCNQHLPRAEB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds7

About 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine

2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine (PubChem CID 84754658) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
PubChem CID84754658
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESCOCCNCc1ccc(N2CCCCC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-19-11-8-17-13-14-6-7-15(16(12-14)20-2)18-9-4-3-5-10-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3
InChIKeyYAWSCNQHLPRAEB-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
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'}

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Related Compounds

N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[[4-(azepan-1-yl)-3-chlorophenyl]methyl]-2-methoxyethanamine
CID 81148520
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
N-[[4-(azocan-1-yl)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63060536
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 84754386
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 84754657
N-[[3-chloro-4-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149247
N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
CID 84754536
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine (CID 84754658) is 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine is COCCNCc1ccc(N2CCCCC2)c(OC)c1.
What is the InChIKey of 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is YAWSCNQHLPRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-11-8-17-13-14-6-7-15(16(12-14)20-2)18-9-4-3-5-10-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine?
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 84754658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).