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

C15H18F3NO2 — CID 11833532

IUPACmethyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCCCN1
InChIInChI=1S/C15H18F3NO2/c1-21-14(20)13(12-4-2-3-9-19-12)10-5-7-11(8-6-10)15(16,17)18/h5-8,12-13,19H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKeyYEJBZPQPWICRTD-CHWSQXEVSA-N
MW301.31 g/mol
LogP3.10
Rot. Bonds3

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

methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 11833532) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID11833532
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Namemethyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCCCN1
InChIInChI=1S/C15H18F3NO2/c1-21-14(20)13(12-4-2-3-9-19-12)10-5-7-11(8-6-10)15(16,17)18/h5-8,12-13,19H,2-4,9H2,1H3/t12-,13-/m1/s1
InChIKeyYEJBZPQPWICRTD-CHWSQXEVSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate (CID 11833532) is methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate is COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCCCN1.
What is the InChIKey of methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is YEJBZPQPWICRTD-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-21-14(20)13(12-4-2-3-9-19-12)10-5-7-11(8-6-10)15(16,17)18/h5-8,12-13,19H,2-4,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate?
methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 301.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-piperidin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 11833532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).