1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid

C18H19FN2O3 — CID 119025595

IUPAC1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1
InChIInChI=1S/C18H19FN2O3/c19-16-3-1-12(11-22)9-15(16)14-2-4-17(20-10-14)21-7-5-13(6-8-21)18(23)24/h1-4,9-10,13,22H,5-8,11H2,(H,23,24)
InChIKeyOFHIABIZEVXVEE-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.68
Rot. Bonds4

About 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 119025595) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID119025595
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1
InChIInChI=1S/C18H19FN2O3/c19-16-3-1-12(11-22)9-15(16)14-2-4-17(20-10-14)21-7-5-13(6-8-21)18(23)24/h1-4,9-10,13,22H,5-8,11H2,(H,23,24)
InChIKeyOFHIABIZEVXVEE-UHFFFAOYSA-N
XLogP2.68
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 119025595) is 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(-c3cc(CO)ccc3F)cn2)CC1.
What is the InChIKey of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is OFHIABIZEVXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-16-3-1-12(11-22)9-15(16)14-2-4-17(20-10-14)21-7-5-13(6-8-21)18(23)24/h1-4,9-10,13,22H,5-8,11H2,(H,23,24).
What are the key properties of 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-fluoro-5-(hydroxymethyl)phenyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119025595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).