methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate

C16H23NO3 — CID 117444428

IUPACmethyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15(18)14-7-5-13(6-8-14)9-12-17-10-3-2-4-11-17/h5-8,15,18H,2-4,9-12H2,1H3
InChIKeyOSMNKEROQCOYDZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.92
Rot. Bonds5

About methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate

methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate (PubChem CID 117444428) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate
PubChem CID117444428
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate
SMILESCOC(=O)C(O)c1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15(18)14-7-5-13(6-8-14)9-12-17-10-3-2-4-11-17/h5-8,15,18H,2-4,9-12H2,1H3
InChIKeyOSMNKEROQCOYDZ-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate (CID 117444428) is methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate is COC(=O)C(O)c1ccc(CCN2CCCCC2)cc1.
What is the InChIKey of methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate?
The InChIKey is OSMNKEROQCOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16(19)15(18)14-7-5-13(6-8-14)9-12-17-10-3-2-4-11-17/h5-8,15,18H,2-4,9-12H2,1H3.
What are the key properties of methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate?
methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate has a molecular weight of 277.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate is sourced from PubChem (CID 117444428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).