2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine

C16H25NO2 — CID 117413480

IUPAC2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
SMILESCCc1ccc(OC)c(OC)c1CC1CCCCN1
InChIInChI=1S/C16H25NO2/c1-4-12-8-9-15(18-2)16(19-3)14(12)11-13-7-5-6-10-17-13/h8-9,13,17H,4-7,10-11H2,1-3H3
InChIKeyCLPLTUBMMVYKNN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds5

About 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine

2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine (PubChem CID 117413480) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
PubChem CID117413480
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
SMILESCCc1ccc(OC)c(OC)c1CC1CCCCN1
InChIInChI=1S/C16H25NO2/c1-4-12-8-9-15(18-2)16(19-3)14(12)11-13-7-5-6-10-17-13/h8-9,13,17H,4-7,10-11H2,1-3H3
InChIKeyCLPLTUBMMVYKNN-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262
2-[(3,6-dimethoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117498779
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(7-methoxy-1-benzothiophen-4-yl)methyl]piperidine
CID 117408519
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine (CID 117413480) is 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine is CCc1ccc(OC)c(OC)c1CC1CCCCN1.
What is the InChIKey of 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine?
The InChIKey is CLPLTUBMMVYKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-12-8-9-15(18-2)16(19-3)14(12)11-13-7-5-6-10-17-13/h8-9,13,17H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine?
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117413480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).