methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate

C14H19IN2O2 — CID 70682258

IUPACmethyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1
InChIInChI=1S/C14H19IN2O2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-11(16)10(15)8-9/h5-6,8,12-13,17H,2-4,7,16H2,1H3/t12-,13-/m1/s1
InChIKeyVOLHNEGPSRUZLZ-CHWSQXEVSA-N
MW374.22 g/mol
LogP2.27
Rot. Bonds3

About methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 70682258) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID70682258
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Namemethyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1
InChIInChI=1S/C14H19IN2O2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-11(16)10(15)8-9/h5-6,8,12-13,17H,2-4,7,16H2,1H3/t12-,13-/m1/s1
InChIKeyVOLHNEGPSRUZLZ-CHWSQXEVSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 70682258) is methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate is COC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is VOLHNEGPSRUZLZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-11(16)10(15)8-9/h5-6,8,12-13,17H,2-4,7,16H2,1H3/t12-,13-/m1/s1.
What are the key properties of methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 374.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-amino-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 70682258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).