3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline

C18H30N2O — CID 63157257

IUPAC3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN1CCC(CC)(CC)CC1
InChIInChI=1S/C18H30N2O/c1-4-18(5-2)9-11-20(12-10-18)14-15-13-16(19)7-8-17(15)21-6-3/h7-8,13H,4-6,9-12,14,19H2,1-3H3
InChIKeyNTKPDEYACYOPTJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.07
Rot. Bonds6

About 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline

3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline (PubChem CID 63157257) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline.

Molecular Properties

Compound Name3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
PubChem CID63157257
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN1CCC(CC)(CC)CC1
InChIInChI=1S/C18H30N2O/c1-4-18(5-2)9-11-20(12-10-18)14-15-13-16(19)7-8-17(15)21-6-3/h7-8,13H,4-6,9-12,14,19H2,1-3H3
InChIKeyNTKPDEYACYOPTJ-UHFFFAOYSA-N
XLogP4.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.07
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-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
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802
1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
CID 63456682
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 115414111
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethoxyaniline
CID 43619967
[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776400
1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
CID 62931458
3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43259747
4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
CID 79469208

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline?
The IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline (CID 63157257) is 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline.
What is the SMILES notation for 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline?
The canonical SMILES for 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline is CCOc1ccc(N)cc1CN1CCC(CC)(CC)CC1.
What is the InChIKey of 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline?
The InChIKey is NTKPDEYACYOPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-18(5-2)9-11-20(12-10-18)14-15-13-16(19)7-8-17(15)21-6-3/h7-8,13H,4-6,9-12,14,19H2,1-3H3.
What are the key properties of 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline?
3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline has a molecular weight of 290.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline is sourced from PubChem (CID 63157257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).