methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate

C14H19NO2 — CID 10657292

IUPACmethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyDUGOZIWVEXMGBE-STQMWFEESA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds3

About methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate

methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate (PubChem CID 10657292) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate
PubChem CID10657292
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1
InChIKeyDUGOZIWVEXMGBE-STQMWFEESA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate (CID 10657292) is methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate is COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.
What is the InChIKey of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
The InChIKey is DUGOZIWVEXMGBE-STQMWFEESA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate?
methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate is sourced from PubChem (CID 10657292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).