ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate

C15H21NO3 — CID 118700652

IUPACethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CNCC[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-3-19-15(17)14-10-16-9-8-13(14)11-4-6-12(18-2)7-5-11/h4-7,13-14,16H,3,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyULKKZAQVQSDPEA-ZIAGYGMSSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds4

About ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate

ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate (PubChem CID 118700652) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
PubChem CID118700652
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CNCC[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-3-19-15(17)14-10-16-9-8-13(14)11-4-6-12(18-2)7-5-11/h4-7,13-14,16H,3,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyULKKZAQVQSDPEA-ZIAGYGMSSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
benzyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 135307059
ethyl (1R,2R,3S)-3-fluoro-2-(4-methoxyphenyl)cyclohexane-1-carboxylate
CID 102242214
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
ethyl (3S,4S)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]piperidine-3-carboxylate
CID 118700747
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate
CID 70124953
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl (2S)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylate;hydrobromide
CID 69351683
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate (CID 118700652) is ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CNCC[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate?
The InChIKey is ULKKZAQVQSDPEA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-15(17)14-10-16-9-8-13(14)11-4-6-12(18-2)7-5-11/h4-7,13-14,16H,3,8-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate?
ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 118700652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).