3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid

C14H24FNO4 — CID 84814683

IUPAC3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H24FNO4/c1-5-6-14(11(17)18)7-8-16(9-10(14)15)12(19)20-13(2,3)4/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyIREGTIJNNMFLJS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.84
Rot. Bonds3

About 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid

3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 84814683) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID84814683
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C14H24FNO4/c1-5-6-14(11(17)18)7-8-16(9-10(14)15)12(19)20-13(2,3)4/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyIREGTIJNNMFLJS-UHFFFAOYSA-N
XLogP2.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid (CID 84814683) is 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is IREGTIJNNMFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-5-6-14(11(17)18)7-8-16(9-10(14)15)12(19)20-13(2,3)4/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid?
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 289.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 84814683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).