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

C15H24N2O — CID 43584169

IUPAC3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
SMILESCCC1CCCN(Cc2cc(N)ccc2OC)C1
InChIInChI=1S/C15H24N2O/c1-3-12-5-4-8-17(10-12)11-13-9-14(16)6-7-15(13)18-2/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3
InChIKeyXGBNHCNRWZUJPQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds4

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

3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline (PubChem CID 43584169) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
PubChem CID43584169
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
SMILESCCC1CCCN(Cc2cc(N)ccc2OC)C1
InChIInChI=1S/C15H24N2O/c1-3-12-5-4-8-17(10-12)11-13-9-14(16)6-7-15(13)18-2/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3
InChIKeyXGBNHCNRWZUJPQ-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

4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-methoxyaniline
CID 79940675
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyaniline
CID 43620120
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline?
The IUPAC name of 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline (CID 43584169) is 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline is CCC1CCCN(Cc2cc(N)ccc2OC)C1.
What is the InChIKey of 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline?
The InChIKey is XGBNHCNRWZUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12-5-4-8-17(10-12)11-13-9-14(16)6-7-15(13)18-2/h6-7,9,12H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline?
3-[(3-ethylpiperidin-1-yl)methyl]-4-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 3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 43584169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).