ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

C25H33NO5 — CID 26329598

IUPACethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C25H33NO5/c1-2-29-24(28)25(14-17-30-22-7-4-3-5-8-22)13-6-15-26(20-25)19-21-9-11-23(12-10-21)31-18-16-27/h3-5,7-12,27H,2,6,13-20H2,1H3/t25-/m1/s1
InChIKeyOEDYPEXTRZXBNK-RUZDIDTESA-N
MW427.54 g/mol
LogP3.67
Rot. Bonds11

About ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate (PubChem CID 26329598) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
PubChem CID26329598
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Nameethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C25H33NO5/c1-2-29-24(28)25(14-17-30-22-7-4-3-5-8-22)13-6-15-26(20-25)19-21-9-11-23(12-10-21)31-18-16-27/h3-5,7-12,27H,2,6,13-20H2,1H3/t25-/m1/s1
InChIKeyOEDYPEXTRZXBNK-RUZDIDTESA-N
XLogP3.67
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42460285
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
ethyl (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42311023
ethyl (3S)-3-(2-phenoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 26408612
ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45234907
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl 1-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 70701251
ethyl 1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]-3-(2-phenylethyl)piperidine-3-carboxylate
CID 45201924

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate (CID 26329598) is ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate is CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(OCCO)cc2)C1.
What is the InChIKey of ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
The InChIKey is OEDYPEXTRZXBNK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H33NO5/c1-2-29-24(28)25(14-17-30-22-7-4-3-5-8-22)13-6-15-26(20-25)19-21-9-11-23(12-10-21)31-18-16-27/h3-5,7-12,27H,2,6,13-20H2,1H3/t25-/m1/s1.
What are the key properties of ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate?
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate has a molecular weight of 427.54 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 26329598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).