methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate

C21H24ClNO2 — CID 52945094

IUPACmethyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate
SMILESCOC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H24ClNO2/c1-25-21(24)20(17-10-7-11-18(22)14-17)19-12-5-6-13-23(19)15-16-8-3-2-4-9-16/h2-4,7-11,14,19-20H,5-6,12-13,15H2,1H3/t19-,20-/m1/s1
InChIKeyQUIVXFJDADACBW-WOJBJXKFSA-N
MW357.88 g/mol
LogP4.65
Rot. Bonds5

About methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate

methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate (PubChem CID 52945094) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate
PubChem CID52945094
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Namemethyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate
SMILESCOC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H24ClNO2/c1-25-21(24)20(17-10-7-11-18(22)14-17)19-12-5-6-13-23(19)15-16-8-3-2-4-9-16/h2-4,7-11,14,19-20H,5-6,12-13,15H2,1H3/t19-,20-/m1/s1
InChIKeyQUIVXFJDADACBW-WOJBJXKFSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate?
The IUPAC name of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate (CID 52945094) is methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate is COC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate?
The InChIKey is QUIVXFJDADACBW-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-25-21(24)20(17-10-7-11-18(22)14-17)19-12-5-6-13-23(19)15-16-8-3-2-4-9-16/h2-4,7-11,14,19-20H,5-6,12-13,15H2,1H3/t19-,20-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate?
methyl (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3-chlorophenyl)acetate has a molecular weight of 357.88 g/mol, XLogP of 4.65, 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-(3-chlorophenyl)acetate is sourced from PubChem (CID 52945094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).