2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine

C17H27NO2 — CID 103174993

IUPAC2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine
SMILESCCC1NC(C)CCC1OCCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-16-17(10-5-13(2)18-16)20-12-11-14-6-8-15(19-3)9-7-14/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyAPQJGDUKYUKONE-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds6

About 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine

2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine (PubChem CID 103174993) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine.

Molecular Properties

Compound Name2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine
PubChem CID103174993
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine
SMILESCCC1NC(C)CCC1OCCc1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-16-17(10-5-13(2)18-16)20-12-11-14-6-8-15(19-3)9-7-14/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyAPQJGDUKYUKONE-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methyl-3-(3-phenylpropoxy)piperidine
CID 103175086
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CID 103175112
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CID 106779333
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CID 54183977
[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
CID 65430450
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934581
[(1R,2S)-2-methoxycyclohexyl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6944161
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine?
The IUPAC name of 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine (CID 103174993) is 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine.
What is the SMILES notation for 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine?
The canonical SMILES for 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine is CCC1NC(C)CCC1OCCc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine?
The InChIKey is APQJGDUKYUKONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-16-17(10-5-13(2)18-16)20-12-11-14-6-8-15(19-3)9-7-14/h6-9,13,16-18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine?
2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine has a molecular weight of 277.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(4-methoxyphenyl)ethoxy]-6-methylpiperidine is sourced from PubChem (CID 103174993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).