2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol

C25H35FN2O3 — CID 142398914

IUPAC2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.Cc1ncc(-c2ccc(F)cc2)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C21H25FN2O2.C4H10O/c1-14-17(12-19(25)26)20(24-10-8-21(2,3)9-11-24)18(13-23-14)15-4-6-16(22)7-5-15;1-4(2,3)5/h4-7,13H,8-12H2,1-3H3,(H,25,26);5H,1-3H3
InChIKeyZWMMNRNXOGRHCD-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.23
Rot. Bonds4

About 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol

2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol (PubChem CID 142398914) has the molecular formula C25H35FN2O3 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol.

Molecular Properties

Compound Name2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
PubChem CID142398914
Molecular FormulaC25H35FN2O3
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.Cc1ncc(-c2ccc(F)cc2)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C21H25FN2O2.C4H10O/c1-14-17(12-19(25)26)20(24-10-8-21(2,3)9-11-24)18(13-23-14)15-4-6-16(22)7-5-15;1-4(2,3)5/h4-7,13H,8-12H2,1-3H3,(H,25,26);5H,1-3H3
InChIKeyZWMMNRNXOGRHCD-UHFFFAOYSA-N
XLogP5.23
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol with MolForge

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Related Compounds

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(2-phenylphenyl)-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398821
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[4-(2-phenylethoxy)phenyl]-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398928
2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[6-(3-methylbutan-2-yloxy)-3-pyridinyl]-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398931
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluorophenyl)ethoxy]pyrimidin-2-yl]-2-methyl-3-pyridinyl]acetic acid
CID 135216211
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluorophenyl)ethoxy]-6-methoxy-2-pyridinyl]-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398995
2-[5-[5-chloro-6-[2-(6-fluorocyclohexa-1,5-dien-1-yl)ethoxy]-3-pyridinyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398920
2-[5-[2,3-difluoro-4-[2-(4-fluorophenyl)ethoxy]phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-pyridinyl]acetic acid
CID 135216178
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(2-methoxy-4-pyridinyl)-2-methyl-3-pyridinyl]acetic acid
CID 135216314
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-[2-(3-fluoro-4-methylphenoxy)ethoxy]-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
CID 146282137
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-[2-(4-fluorophenyl)ethoxy]-2-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
CID 135216313
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-fluoro-6-[2-(4-fluorophenyl)cyclobutyl]oxy-3-pyridinyl]-2-methyl-3-pyridinyl]acetic acid
CID 146281983
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(2-methoxyphenyl)ethoxy]-2-pyridinyl]-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142398956

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol?
The IUPAC name of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol (CID 142398914) is 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol.
What is the SMILES notation for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol?
The canonical SMILES for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol is CC(C)(C)O.Cc1ncc(-c2ccc(F)cc2)c(N2CCC(C)(C)CC2)c1CC(=O)O.
What is the InChIKey of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol?
The InChIKey is ZWMMNRNXOGRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2.C4H10O/c1-14-17(12-19(25)26)20(24-10-8-21(2,3)9-11-24)18(13-23-14)15-4-6-16(22)7-5-15;1-4(2,3)5/h4-7,13H,8-12H2,1-3H3,(H,25,26);5H,1-3H3.
What are the key properties of 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol?
2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol has a molecular weight of 430.56 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethylpiperidin-1-yl)-5-(4-fluorophenyl)-2-methyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol is sourced from PubChem (CID 142398914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).