5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline

C15H24N2O2 — CID 54985085

IUPAC5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
SMILESCCOC1CCCN(Cc2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H24N2O2/c1-3-19-13-5-4-8-17(11-13)10-12-6-7-15(18-2)14(16)9-12/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyKLVKELGHOFUNPT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds5

About 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline

5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline (PubChem CID 54985085) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
PubChem CID54985085
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
SMILESCCOC1CCCN(Cc2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H24N2O2/c1-3-19-13-5-4-8-17(11-13)10-12-6-7-15(18-2)14(16)9-12/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyKLVKELGHOFUNPT-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
CID 54990148
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
2-methoxy-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]aniline
CID 81199147
2-[(3-amino-4-methoxyphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81099811
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline (CID 54985085) is 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline is CCOC1CCCN(Cc2ccc(OC)c(N)c2)C1.
What is the InChIKey of 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline?
The InChIKey is KLVKELGHOFUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-13-5-4-8-17(11-13)10-12-6-7-15(18-2)14(16)9-12/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline?
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline has a molecular weight of 264.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 54985085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).