4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid

C18H18F2N2O3 — CID 70732416

IUPAC4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1ccc(F)c(OC2(C(=O)O)CCN(c3ccncc3F)CC2)c1
InChIInChI=1S/C18H18F2N2O3/c1-12-2-3-13(19)16(10-12)25-18(17(23)24)5-8-22(9-6-18)15-4-7-21-11-14(15)20/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,23,24)
InChIKeyRPXZADDSDSSGKI-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.17
Rot. Bonds4

About 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid

4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 70732416) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid
PubChem CID70732416
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1ccc(F)c(OC2(C(=O)O)CCN(c3ccncc3F)CC2)c1
InChIInChI=1S/C18H18F2N2O3/c1-12-2-3-13(19)16(10-12)25-18(17(23)24)5-8-22(9-6-18)15-4-7-21-11-14(15)20/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,23,24)
InChIKeyRPXZADDSDSSGKI-UHFFFAOYSA-N
XLogP3.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid (CID 70732416) is 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid is Cc1ccc(F)c(OC2(C(=O)O)CCN(c3ccncc3F)CC2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is RPXZADDSDSSGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12-2-3-13(19)16(10-12)25-18(17(23)24)5-8-22(9-6-18)15-4-7-21-11-14(15)20/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,23,24).
What are the key properties of 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 348.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenoxy)-1-(3-fluoro-4-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70732416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).