ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate

C18H27NO3 — CID 2838370

IUPACethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C18H27NO3/c1-5-22-18(20)16-8-6-7-11-19(16)12-15-9-10-17(21-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3
InChIKeyVMJMNQVHYQVMNA-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.23
Rot. Bonds5

About ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838370) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
PubChem CID2838370
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C18H27NO3/c1-5-22-18(20)16-8-6-7-11-19(16)12-15-9-10-17(21-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3
InChIKeyVMJMNQVHYQVMNA-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2838021
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
ethyl 1-[(3-bromo-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 78915187
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
ethyl 1-[(2-bromo-5-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 115539044
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate (CID 2838370) is ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccc(OC)c(C)c1C.
What is the InChIKey of ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is VMJMNQVHYQVMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-22-18(20)16-8-6-7-11-19(16)12-15-9-10-17(21-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3.
What are the key properties of ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).