methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate

C16H23NO2 — CID 52947243

IUPACmethyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCCc1ccc([C@@H](C(=O)OC)[C@H]2CCCCN2)cc1
InChIInChI=1S/C16H23NO2/c1-3-12-7-9-13(10-8-12)15(16(18)19-2)14-6-4-5-11-17-14/h7-10,14-15,17H,3-6,11H2,1-2H3/t14-,15-/m1/s1
InChIKeyWNIYTNIFAQJHLP-HUUCEWRRSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds4

About methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate

methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 52947243) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
PubChem CID52947243
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate
SMILESCCc1ccc([C@@H](C(=O)OC)[C@H]2CCCCN2)cc1
InChIInChI=1S/C16H23NO2/c1-3-12-7-9-13(10-8-12)15(16(18)19-2)14-6-4-5-11-17-14/h7-10,14-15,17H,3-6,11H2,1-2H3/t14-,15-/m1/s1
InChIKeyWNIYTNIFAQJHLP-HUUCEWRRSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate (CID 52947243) is methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate is CCc1ccc([C@@H](C(=O)OC)[C@H]2CCCCN2)cc1.
What is the InChIKey of methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is WNIYTNIFAQJHLP-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12-7-9-13(10-8-12)15(16(18)19-2)14-6-4-5-11-17-14/h7-10,14-15,17H,3-6,11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate?
methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 261.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-ethylphenyl)-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 52947243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).