methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate

C21H25NO2 — CID 52948224

IUPACmethyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H25NO2/c1-24-21(23)20(18-12-6-3-7-13-18)19-14-8-9-15-22(19)16-17-10-4-2-5-11-17/h2-7,10-13,19-20H,8-9,14-16H2,1H3/t19-,20-/m1/s1
InChIKeyBUSOTANDABQRSW-WOJBJXKFSA-N
MW323.44 g/mol
LogP4.00
Rot. Bonds5

About methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate

methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate (PubChem CID 52948224) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate
PubChem CID52948224
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namemethyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H25NO2/c1-24-21(23)20(18-12-6-3-7-13-18)19-14-8-9-15-22(19)16-17-10-4-2-5-11-17/h2-7,10-13,19-20H,8-9,14-16H2,1H3/t19-,20-/m1/s1
InChIKeyBUSOTANDABQRSW-WOJBJXKFSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate (CID 52948224) is methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate?
The InChIKey is BUSOTANDABQRSW-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-21(23)20(18-12-6-3-7-13-18)19-14-8-9-15-22(19)16-17-10-4-2-5-11-17/h2-7,10-13,19-20H,8-9,14-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate?
methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate has a molecular weight of 323.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-phenylacetate is sourced from PubChem (CID 52948224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).