methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate

C14H19NO3 — CID 70454671

IUPACmethyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate
SMILESCOC(=O)C(O)C1CNCCC1c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-14(17)13(16)12-9-15-8-7-11(12)10-5-3-2-4-6-10/h2-6,11-13,15-16H,7-9H2,1H3
InChIKeyCZKXDJDILLOQLD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.91
Rot. Bonds3

About methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate

methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate (PubChem CID 70454671) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate
PubChem CID70454671
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate
SMILESCOC(=O)C(O)C1CNCCC1c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-14(17)13(16)12-9-15-8-7-11(12)10-5-3-2-4-6-10/h2-6,11-13,15-16H,7-9H2,1H3
InChIKeyCZKXDJDILLOQLD-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate (CID 70454671) is methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate is COC(=O)C(O)C1CNCCC1c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate?
The InChIKey is CZKXDJDILLOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-14(17)13(16)12-9-15-8-7-11(12)10-5-3-2-4-6-10/h2-6,11-13,15-16H,7-9H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate?
methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate has a molecular weight of 249.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(4-phenylpiperidin-3-yl)acetate is sourced from PubChem (CID 70454671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).