methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate

C14H18INO2 — CID 53323137

IUPACmethyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1
InChIInChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1
InChIKeyOFLGSFKBBRGLOC-CHWSQXEVSA-N
MW359.21 g/mol
LogP2.69
Rot. Bonds3

About methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 53323137) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID53323137
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Namemethyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1
InChIInChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1
InChIKeyOFLGSFKBBRGLOC-CHWSQXEVSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 53323137) is methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is OFLGSFKBBRGLOC-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18INO2/c1-18-14(17)13(12-7-2-3-8-16-12)10-5-4-6-11(15)9-10/h4-6,9,12-13,16H,2-3,7-8H2,1H3/t12-,13-/m1/s1.
What are the key properties of methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 359.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 53323137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).