2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

C19H26FNO4 — CID 68933712

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC1CC(CC(=O)O)(c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-13-11-19(12-16(22)23,14-5-7-15(20)8-6-14)9-10-21(13)17(24)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,22,23)
InChIKeyNFTOAHAQGGVQBF-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.96
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (PubChem CID 68933712) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
PubChem CID68933712
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC1CC(CC(=O)O)(c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-13-11-19(12-16(22)23,14-5-7-15(20)8-6-14)9-10-21(13)17(24)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,22,23)
InChIKeyNFTOAHAQGGVQBF-UHFFFAOYSA-N
XLogP3.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (CID 68933712) is 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is CC1CC(CC(=O)O)(c2ccc(F)cc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is NFTOAHAQGGVQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-13-11-19(12-16(22)23,14-5-7-15(20)8-6-14)9-10-21(13)17(24)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,22,23).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 351.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 68933712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).