methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate

C21H24ClNO2 — CID 52949753

IUPACmethyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-25-21(24)20(17-7-3-2-4-8-17)19-9-5-6-14-23(19)15-16-10-12-18(22)13-11-16/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3/t19-,20-/m1/s1
InChIKeySUYRDAUAEDYGHW-WOJBJXKFSA-N
MW357.88 g/mol
LogP4.65
Rot. Bonds5

About methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate

methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate (PubChem CID 52949753) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate
PubChem CID52949753
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Namemethyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-25-21(24)20(17-7-3-2-4-8-17)19-9-5-6-14-23(19)15-16-10-12-18(22)13-11-16/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3/t19-,20-/m1/s1
InChIKeySUYRDAUAEDYGHW-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-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate (CID 52949753) is methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The InChIKey is SUYRDAUAEDYGHW-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-25-21(24)20(17-7-3-2-4-8-17)19-9-5-6-14-23(19)15-16-10-12-18(22)13-11-16/h2-4,7-8,10-13,19-20H,5-6,9,14-15H2,1H3/t19-,20-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
methyl (2R)-2-[(2R)-1-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate 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-[(4-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate is sourced from PubChem (CID 52949753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).