ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate

C17H25NO4 — CID 40633764

IUPACethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C17H25NO4/c1-3-21-16-11-13(8-9-15(16)19)12-18-10-6-5-7-14(18)17(20)22-4-2/h8-9,11,14,19H,3-7,10,12H2,1-2H3/t14-/m1/s1
InChIKeyROEKIKRMXWNFIL-CQSZACIVSA-N
MW307.39 g/mol
LogP2.71
Rot. Bonds6

About ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate

ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate (PubChem CID 40633764) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
PubChem CID40633764
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nameethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1Cc1ccc(O)c(OCC)c1
InChIInChI=1S/C17H25NO4/c1-3-21-16-11-13(8-9-15(16)19)12-18-10-6-5-7-14(18)17(20)22-4-2/h8-9,11,14,19H,3-7,10,12H2,1-2H3/t14-/m1/s1
InChIKeyROEKIKRMXWNFIL-CQSZACIVSA-N
XLogP2.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl 1-[(3-bromo-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 78915187
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
(2S,3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 167949979
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate (CID 40633764) is ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1Cc1ccc(O)c(OCC)c1.
What is the InChIKey of ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is ROEKIKRMXWNFIL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-21-16-11-13(8-9-15(16)19)12-18-10-6-5-7-14(18)17(20)22-4-2/h8-9,11,14,19H,3-7,10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate?
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 40633764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).