4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline

C15H24N2O — CID 107208239

IUPAC4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
SMILESCCC1CCCN(Cc2ccc(N)cc2OC)C1
InChIInChI=1S/C15H24N2O/c1-3-12-5-4-8-17(10-12)11-13-6-7-14(16)9-15(13)18-2/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3
InChIKeyFASDTSOZZNSNJH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds4

About 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline

4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline (PubChem CID 107208239) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
PubChem CID107208239
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
SMILESCCC1CCCN(Cc2ccc(N)cc2OC)C1
InChIInChI=1S/C15H24N2O/c1-3-12-5-4-8-17(10-12)11-13-6-7-14(16)9-15(13)18-2/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3
InChIKeyFASDTSOZZNSNJH-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
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-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
CID 107208575
3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-3-methoxyaniline
CID 107208571
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
CID 107208413
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline?
The IUPAC name of 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline (CID 107208239) is 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline is CCC1CCCN(Cc2ccc(N)cc2OC)C1.
What is the InChIKey of 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline?
The InChIKey is FASDTSOZZNSNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12-5-4-8-17(10-12)11-13-6-7-14(16)9-15(13)18-2/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline?
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline is sourced from PubChem (CID 107208239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).