ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate

C13H25NO4 — CID 81338320

IUPACethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
SMILESCCOCC(O)CN1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H25NO4/c1-3-17-10-12(15)9-14-7-5-6-11(8-14)13(16)18-4-2/h11-12,15H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyILNNJBWGSYIKHL-JHJMLUEUSA-N
MW259.35 g/mol
LogP0.66
Rot. Bonds7

About ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate

ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate (PubChem CID 81338320) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
PubChem CID81338320
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
SMILESCCOCC(O)CN1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H25NO4/c1-3-17-10-12(15)9-14-7-5-6-11(8-14)13(16)18-4-2/h11-12,15H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyILNNJBWGSYIKHL-JHJMLUEUSA-N
XLogP0.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
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CID 115538052
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
ethyl (3S)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxylate
CID 113330813
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CID 16807234
ethyl (3S)-1-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-3-carboxylate
CID 7187794
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
3-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-methylpropanoic acid
CID 106484520
ethyl (3S)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidine-3-carboxylate
CID 99819039
ethyl (3R)-1-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]piperidine-3-carboxylate
CID 27331776
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
CID 63383208

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate (CID 81338320) is ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate is CCOCC(O)CN1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate?
The InChIKey is ILNNJBWGSYIKHL-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-17-10-12(15)9-14-7-5-6-11(8-14)13(16)18-4-2/h11-12,15H,3-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate?
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate is sourced from PubChem (CID 81338320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).