4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid

C17H18FN3O3 — CID 142721409

IUPAC4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid
SMILESCc1cc(N2CCCC(Oc3ccc(F)cc3)C2)nc(C(=O)O)n1
InChIInChI=1S/C17H18FN3O3/c1-11-9-15(20-16(19-11)17(22)23)21-8-2-3-14(10-21)24-13-6-4-12(18)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,22,23)
InChIKeyWTZWASJUSIRZSS-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.67
Rot. Bonds4

About 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid

4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid (PubChem CID 142721409) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid
PubChem CID142721409
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid
SMILESCc1cc(N2CCCC(Oc3ccc(F)cc3)C2)nc(C(=O)O)n1
InChIInChI=1S/C17H18FN3O3/c1-11-9-15(20-16(19-11)17(22)23)21-8-2-3-14(10-21)24-13-6-4-12(18)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,22,23)
InChIKeyWTZWASJUSIRZSS-UHFFFAOYSA-N
XLogP2.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637
3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
2-[(3S)-3-(4-fluorophenoxy)piperidin-1-yl]-5-methyl-4-(1-methylpyrazol-4-yl)pyrimidine
CID 29029318
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
CID 66286109
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine
CID 156551560
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid (CID 142721409) is 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid is Cc1cc(N2CCCC(Oc3ccc(F)cc3)C2)nc(C(=O)O)n1.
What is the InChIKey of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid?
The InChIKey is WTZWASJUSIRZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-9-15(20-16(19-11)17(22)23)21-8-2-3-14(10-21)24-13-6-4-12(18)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,22,23).
What are the key properties of 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid?
4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid has a molecular weight of 331.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 142721409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).