2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate

C15H21NO2 — CID 86319530

IUPAC2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC[C@@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c17-15(12-13-6-2-1-3-7-13)18-11-9-14-8-4-5-10-16-14/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1
InChIKeyBPOLSICDBCRNAZ-AWEZNQCLSA-N
MW247.34 g/mol
LogP2.30
Rot. Bonds5

About 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate

2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate (PubChem CID 86319530) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
PubChem CID86319530
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC[C@@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c17-15(12-13-6-2-1-3-7-13)18-11-9-14-8-4-5-10-16-14/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1
InChIKeyBPOLSICDBCRNAZ-AWEZNQCLSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate 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

benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
piperidin-2-yl 2-phenylacetate
CID 154340125
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[(2R)-piperidin-2-yl]ethyl cyclopentanecarboxylate
CID 86319749
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate?
The IUPAC name of 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate (CID 86319530) is 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate is O=C(Cc1ccccc1)OCC[C@@H]1CCCCN1.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate?
The InChIKey is BPOLSICDBCRNAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(12-13-6-2-1-3-7-13)18-11-9-14-8-4-5-10-16-14/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate?
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate has a molecular weight of 247.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate is sourced from PubChem (CID 86319530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).