1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine

C18H30N2O — CID 102965565

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCCNC(CN1CCCC(OC)C1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H30N2O/c1-5-19-18(16-10-14(2)9-15(3)11-16)13-20-8-6-7-17(12-20)21-4/h9-11,17-19H,5-8,12-13H2,1-4H3
InChIKeyQLDSQYQUKPIDQI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.06
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine

1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965565) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965565
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCCNC(CN1CCCC(OC)C1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H30N2O/c1-5-19-18(16-10-14(2)9-15(3)11-16)13-20-8-6-7-17(12-20)21-4/h9-11,17-19H,5-8,12-13H2,1-4H3
InChIKeyQLDSQYQUKPIDQI-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965538
1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967295
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
3-cyclopentyl-1-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 115796908
1-(3,5-dimethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylethanamine
CID 102965330
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119
1-(3-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 102965544
2-amino-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102968945
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
1-(3,5-dimethylphenyl)-2-[3-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111476808
2-methoxy-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 106115075

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965565) is 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine is CCNC(CN1CCCC(OC)C1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is QLDSQYQUKPIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-19-18(16-10-14(2)9-15(3)11-16)13-20-8-6-7-17(12-20)21-4/h9-11,17-19H,5-8,12-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine?
1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).