1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid

C18H20FN3O2 — CID 122106469

IUPAC1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C)CC(C(=O)O)C2)nc1-c1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-11-7-13(17(23)24)10-22(9-11)18-20-8-12(2)16(21-18)14-5-3-4-6-15(14)19/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,23,24)
InChIKeySZCVZAAVRWJQGN-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.14
Rot. Bonds3

About 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid

1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106469) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122106469
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cnc(N2CC(C)CC(C(=O)O)C2)nc1-c1ccccc1F
InChIInChI=1S/C18H20FN3O2/c1-11-7-13(17(23)24)10-22(9-11)18-20-8-12(2)16(21-18)14-5-3-4-6-15(14)19/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,23,24)
InChIKeySZCVZAAVRWJQGN-UHFFFAOYSA-N
XLogP3.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
cyclopropyl-[4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepan-1-yl]methanone
CID 155944743
2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 159934380
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106508
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepane
CID 103279650
5-methyl-1-(4-phenylmethoxypyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106617
5-methyl-1-(2-methylquinolin-4-yl)piperidine-3-carboxylic acid
CID 122106797
4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166183140
1-(8-methoxy-3-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106571
5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 46951518
4-(2-fluorophenyl)-5-(trideuteriomethyl)pyrimidine-2-carboxylic acid
CID 156842541

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid (CID 122106469) is 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid is Cc1cnc(N2CC(C)CC(C(=O)O)C2)nc1-c1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is SZCVZAAVRWJQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-7-13(17(23)24)10-22(9-11)18-20-8-12(2)16(21-18)14-5-3-4-6-15(14)19/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid?
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 329.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).