3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline

C15H24N2O — CID 80735338

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline
SMILESCCC1(C)CCN(c2cc(N)cc(OC)c2)CC1
InChIInChI=1S/C15H24N2O/c1-4-15(2)5-7-17(8-6-15)13-9-12(16)10-14(11-13)18-3/h9-11H,4-8,16H2,1-3H3
InChIKeyVAOBTDRHFKJUNL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds3

About 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline

3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline (PubChem CID 80735338) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline
PubChem CID80735338
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline
SMILESCCC1(C)CCN(c2cc(N)cc(OC)c2)CC1
InChIInChI=1S/C15H24N2O/c1-4-15(2)5-7-17(8-6-15)13-9-12(16)10-14(11-13)18-3/h9-11H,4-8,16H2,1-3H3
InChIKeyVAOBTDRHFKJUNL-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
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

1-(3-amino-5-methoxyphenyl)-4-methylazepan-4-ol
CID 107403724
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-methoxyaniline
CID 107453075
3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
3-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methoxyaniline
CID 80731185
3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
CID 80726785
3-(4,4-diethylpiperidin-1-yl)-5-propoxyaniline
CID 80740038
3-methoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 80734647
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
3-ethoxy-5-pyrrolidin-1-ylaniline
CID 80725867
2-(difluoromethoxy)-4-(4-ethyl-4-methylpiperidin-1-yl)aniline
CID 165489475
3-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 80735368

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline (CID 80735338) is 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline is CCC1(C)CCN(c2cc(N)cc(OC)c2)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline?
The InChIKey is VAOBTDRHFKJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(2)5-7-17(8-6-15)13-9-12(16)10-14(11-13)18-3/h9-11H,4-8,16H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline?
3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-5-methoxyaniline is sourced from PubChem (CID 80735338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).