2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid

C18H20N2O2 — CID 54069668

IUPAC2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H20N2O2/c21-18(22)13-20-12-2-1-3-17(20)16-6-4-14(5-7-16)15-8-10-19-11-9-15/h4-11,17H,1-3,12-13H2,(H,21,22)
InChIKeyMFNAPFAVFQDKOA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid

2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid (PubChem CID 54069668) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
PubChem CID54069668
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCCC1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H20N2O2/c21-18(22)13-20-12-2-1-3-17(20)16-6-4-14(5-7-16)15-8-10-19-11-9-15/h4-11,17H,1-3,12-13H2,(H,21,22)
InChIKeyMFNAPFAVFQDKOA-UHFFFAOYSA-N
XLogP3.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid (CID 54069668) is 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCCCC1c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid?
The InChIKey is MFNAPFAVFQDKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(22)13-20-12-2-1-3-17(20)16-6-4-14(5-7-16)15-8-10-19-11-9-15/h4-11,17H,1-3,12-13H2,(H,21,22).
What are the key properties of 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid?
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 54069668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).