4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine

C16H25NO2 — CID 117413527

IUPAC4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
SMILESCCc1c(OC)ccc(CC2CCNCC2)c1OC
InChIInChI=1S/C16H25NO2/c1-4-14-15(18-2)6-5-13(16(14)19-3)11-12-7-9-17-10-8-12/h5-6,12,17H,4,7-11H2,1-3H3
InChIKeyANCYFDSFKHJUPB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds5

About 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine

4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 117413527) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
PubChem CID117413527
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
SMILESCCc1c(OC)ccc(CC2CCNCC2)c1OC
InChIInChI=1S/C16H25NO2/c1-4-14-15(18-2)6-5-13(16(14)19-3)11-12-7-9-17-10-8-12/h5-6,12,17H,4,7-11H2,1-3H3
InChIKeyANCYFDSFKHJUPB-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(2-fluoro-4-methoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117426953
3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117448288
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine (CID 117413527) is 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine is CCc1c(OC)ccc(CC2CCNCC2)c1OC.
What is the InChIKey of 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is ANCYFDSFKHJUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-14-15(18-2)6-5-13(16(14)19-3)11-12-7-9-17-10-8-12/h5-6,12,17H,4,7-11H2,1-3H3.
What are the key properties of 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine?
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).