2-(4-methylpiperidin-1-yl)-2-phenylacetic acid

C14H19NO2 — CID 3157175

IUPAC2-(4-methylpiperidin-1-yl)-2-phenylacetic acid
SMILESCC1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeyVNTKWWYECZGMLP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid

2-(4-methylpiperidin-1-yl)-2-phenylacetic acid (PubChem CID 3157175) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-phenylacetic acid
PubChem CID3157175
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-methylpiperidin-1-yl)-2-phenylacetic acid
SMILESCC1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeyVNTKWWYECZGMLP-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid (CID 3157175) is 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid is CC1CCN(C(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid?
The InChIKey is VNTKWWYECZGMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid?
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 3157175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).