4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline

C16H26N2O2 — CID 107390802

IUPAC4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
SMILESCCOc1ccc(N)cc1CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-6-14(17)10-13(15)11-18-9-5-8-16(2,12-18)19-3/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3
InChIKeyIHVDDYCOMBRHGE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds5

About 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline

4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline (PubChem CID 107390802) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
PubChem CID107390802
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
SMILESCCOc1ccc(N)cc1CN1CCCC(C)(OC)C1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-6-14(17)10-13(15)11-18-9-5-8-16(2,12-18)19-3/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3
InChIKeyIHVDDYCOMBRHGE-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
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

3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
CID 63157257
4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 43259559
4-ethoxy-3-(thiomorpholin-4-ylmethyl)aniline
CID 43259646
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-ethoxyaniline
CID 79182339
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 107394991
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160
[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776400
3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
CID 79689222
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393674
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethoxyaniline
CID 43619967

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline (CID 107390802) is 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline is CCOc1ccc(N)cc1CN1CCCC(C)(OC)C1.
What is the InChIKey of 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is IHVDDYCOMBRHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-7-6-14(17)10-13(15)11-18-9-5-8-16(2,12-18)19-3/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3.
What are the key properties of 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 278.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 107390802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).