ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate

C15H21NO3 — CID 82537675

IUPACethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(OC)cc2)C1
InChIInChI=1S/C15H21NO3/c1-3-19-15(17)12-5-4-10-16(11-12)13-6-8-14(18-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyRGKLCQIQJZDWSO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds4

About ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate

ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate (PubChem CID 82537675) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
PubChem CID82537675
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(OC)cc2)C1
InChIInChI=1S/C15H21NO3/c1-3-19-15(17)12-5-4-10-16(11-12)13-6-8-14(18-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyRGKLCQIQJZDWSO-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653
ethyl 1-(2-cyano-5-methoxyphenyl)piperidine-3-carboxylate
CID 81296564
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl (3S)-1-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]piperidine-3-carboxylate
CID 9193739
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl 1-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-3-carboxylate
CID 5293468
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate (CID 82537675) is ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
The InChIKey is RGKLCQIQJZDWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-15(17)12-5-4-10-16(11-12)13-6-8-14(18-2)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate?
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 82537675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).