2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline

C15H24N2O2 — CID 115413849

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
SMILESCCOC1CCN(Cc2cc(OC)ccc2N)CC1
InChIInChI=1S/C15H24N2O2/c1-3-19-13-6-8-17(9-7-13)11-12-10-14(18-2)4-5-15(12)16/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChIKeyPKEDRQKTEYTKBZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds5

About 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline

2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline (PubChem CID 115413849) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
PubChem CID115413849
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
SMILESCCOC1CCN(Cc2cc(OC)ccc2N)CC1
InChIInChI=1S/C15H24N2O2/c1-3-19-13-6-8-17(9-7-13)11-12-10-14(18-2)4-5-15(12)16/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChIKeyPKEDRQKTEYTKBZ-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

4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
4-methoxy-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]aniline
CID 115414078
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 113305258
(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218408
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
1-[(2-amino-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 115413812
2-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065719
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline (CID 115413849) is 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline is CCOC1CCN(Cc2cc(OC)ccc2N)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline?
The InChIKey is PKEDRQKTEYTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-13-6-8-17(9-7-13)11-12-10-14(18-2)4-5-15(12)16/h4-5,10,13H,3,6-9,11,16H2,1-2H3.
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline?
2-[(4-ethoxypiperidin-1-yl)methyl]-4-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 2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 115413849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).