3-(2-ethylpiperidin-1-yl)-5-methoxyaniline

C14H22N2O — CID 80721846

IUPAC3-(2-ethylpiperidin-1-yl)-5-methoxyaniline
SMILESCCC1CCCCN1c1cc(N)cc(OC)c1
InChIInChI=1S/C14H22N2O/c1-3-12-6-4-5-7-16(12)13-8-11(15)9-14(10-13)17-2/h8-10,12H,3-7,15H2,1-2H3
InChIKeyGPVWUNSYEFFMAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.05
Rot. Bonds3

About 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline

3-(2-ethylpiperidin-1-yl)-5-methoxyaniline (PubChem CID 80721846) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-5-methoxyaniline
PubChem CID80721846
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(2-ethylpiperidin-1-yl)-5-methoxyaniline
SMILESCCC1CCCCN1c1cc(N)cc(OC)c1
InChIInChI=1S/C14H22N2O/c1-3-12-6-4-5-7-16(12)13-8-11(15)9-14(10-13)17-2/h8-10,12H,3-7,15H2,1-2H3
InChIKeyGPVWUNSYEFFMAY-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-(2-ethylazepan-1-yl)aniline
CID 104688796
2-[1-(3-amino-5-methoxyphenyl)piperidin-2-yl]ethanol
CID 80725887
[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 80731616
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
3-(2-ethylpiperidin-1-yl)-5-nitroaniline
CID 80776239
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-ethoxyaniline
CID 80730850
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
6-(2-ethylazepan-1-yl)-2-methoxypyridin-3-amine
CID 104688787
4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258766
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline (CID 80721846) is 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline is CCC1CCCCN1c1cc(N)cc(OC)c1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline?
The InChIKey is GPVWUNSYEFFMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-12-6-4-5-7-16(12)13-8-11(15)9-14(10-13)17-2/h8-10,12H,3-7,15H2,1-2H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline?
3-(2-ethylpiperidin-1-yl)-5-methoxyaniline has a molecular weight of 234.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-5-methoxyaniline is sourced from PubChem (CID 80721846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).