methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate

C15H21NO3 — CID 15508295

IUPACmethyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(12-6-4-3-5-7-12)16-9-8-13(17)10-14(16)15(18)19-2/h3-7,11,13-14,17H,8-10H2,1-2H3/t11-,13+,14-/m0/s1
InChIKeyGQVSOZIWEVUIGC-YUTCNCBUSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds3

About methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate

methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate (PubChem CID 15508295) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
PubChem CID15508295
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O)CCN1[C@@H](C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(12-6-4-3-5-7-12)16-9-8-13(17)10-14(16)15(18)19-2/h3-7,11,13-14,17H,8-10H2,1-2H3/t11-,13+,14-/m0/s1
InChIKeyGQVSOZIWEVUIGC-YUTCNCBUSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate (CID 15508295) is methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](O)CCN1[C@@H](C)c1ccccc1.
What is the InChIKey of methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate?
The InChIKey is GQVSOZIWEVUIGC-YUTCNCBUSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(12-6-4-3-5-7-12)16-9-8-13(17)10-14(16)15(18)19-2/h3-7,11,13-14,17H,8-10H2,1-2H3/t11-,13+,14-/m0/s1.
What are the key properties of methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate?
methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxy-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate is sourced from PubChem (CID 15508295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).