2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid

C13H16ClNO2 — CID 70552702

IUPAC2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C13H16ClNO2/c14-11-4-5-12(10(8-11)9-13(16)17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)
InChIKeyGLEYNGXPIIFRKB-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.96
Rot. Bonds3

About 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid

2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid (PubChem CID 70552702) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid
PubChem CID70552702
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C13H16ClNO2/c14-11-4-5-12(10(8-11)9-13(16)17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)
InChIKeyGLEYNGXPIIFRKB-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid (CID 70552702) is 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid is O=C(O)Cc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid?
The InChIKey is GLEYNGXPIIFRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-4-5-12(10(8-11)9-13(16)17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17).
What are the key properties of 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid?
2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid has a molecular weight of 253.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-piperidin-1-ylphenyl)acetic acid is sourced from PubChem (CID 70552702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).