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

C21H24ClNO2 — CID 75969351

IUPACmethyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClNO2/c1-25-21(24)20(16-9-3-2-4-10-16)19-13-7-8-14-23(19)15-17-11-5-6-12-18(17)22/h2-6,9-12,19-20H,7-8,13-15H2,1H3
InChIKeyAQQXLSKTANRVGK-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.65
Rot. Bonds5

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

methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate (PubChem CID 75969351) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate
PubChem CID75969351
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Namemethyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CCCCN1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClNO2/c1-25-21(24)20(16-9-3-2-4-10-16)19-13-7-8-14-23(19)15-17-11-5-6-12-18(17)22/h2-6,9-12,19-20H,7-8,13-15H2,1H3
InChIKeyAQQXLSKTANRVGK-UHFFFAOYSA-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 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate (CID 75969351) is methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)C1CCCCN1Cc1ccccc1Cl.
What is the InChIKey of methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
The InChIKey is AQQXLSKTANRVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-25-21(24)20(16-9-3-2-4-10-16)19-13-7-8-14-23(19)15-17-11-5-6-12-18(17)22/h2-6,9-12,19-20H,7-8,13-15H2,1H3.
What are the key properties of methyl 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate?
methyl 2-[1-[(2-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 2-[1-[(2-chlorophenyl)methyl]piperidin-2-yl]-2-phenylacetate is sourced from PubChem (CID 75969351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).