ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate

C17H25NO4 — CID 2838246

IUPACethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cc(OC)ccc1OC
InChIInChI=1S/C17H25NO4/c1-4-22-17(19)15-7-5-6-10-18(15)12-13-11-14(20-2)8-9-16(13)21-3/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyBGXIENKQZQUYCY-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.62
Rot. Bonds6

About ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838246) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate
PubChem CID2838246
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cc(OC)ccc1OC
InChIInChI=1S/C17H25NO4/c1-4-22-17(19)15-7-5-6-10-18(15)12-13-11-14(20-2)8-9-16(13)21-3/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyBGXIENKQZQUYCY-UHFFFAOYSA-N
XLogP2.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate (CID 2838246) is ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is BGXIENKQZQUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-22-17(19)15-7-5-6-10-18(15)12-13-11-14(20-2)8-9-16(13)21-3/h8-9,11,15H,4-7,10,12H2,1-3H3.
What are the key properties of ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2838246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).