2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid

C17H20FN3O2 — CID 138003833

IUPAC2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid
SMILESCn1nccc1C1CCN(C(C(=O)O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O2/c1-20-15(6-9-19-20)12-7-10-21(11-8-12)16(17(22)23)13-2-4-14(18)5-3-13/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)
InChIKeyNSOKYNGHBXAPLD-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid

2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid (PubChem CID 138003833) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid
PubChem CID138003833
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid
SMILESCn1nccc1C1CCN(C(C(=O)O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O2/c1-20-15(6-9-19-20)12-7-10-21(11-8-12)16(17(22)23)13-2-4-14(18)5-3-13/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23)
InChIKeyNSOKYNGHBXAPLD-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid (CID 138003833) is 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid is Cn1nccc1C1CCN(C(C(=O)O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid?
The InChIKey is NSOKYNGHBXAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-15(6-9-19-20)12-7-10-21(11-8-12)16(17(22)23)13-2-4-14(18)5-3-13/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid?
2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid has a molecular weight of 317.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 138003833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).