ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate

C16H23NO3 — CID 11087069

IUPACethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC[C@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)17-11-7-6-10-14(17)12-15(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3/t14-,15-/m0/s1
InChIKeyMBQJRAHZGIUTPK-GJZGRUSLSA-N
MW277.36 g/mol
LogP3.12
Rot. Bonds4

About ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate

ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate (PubChem CID 11087069) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
PubChem CID11087069
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC[C@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)17-11-7-6-10-14(17)12-15(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3/t14-,15-/m0/s1
InChIKeyMBQJRAHZGIUTPK-GJZGRUSLSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
tert-butyl (2S)-2-(3-ethoxy-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxylate
CID 138971514
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate (CID 11087069) is ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC[C@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
The InChIKey is MBQJRAHZGIUTPK-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-16(19)17-11-7-6-10-14(17)12-15(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11087069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).