2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid

C16H24FNO2 — CID 91175461

IUPAC2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid
SMILESCCCC1CC=CC(C(C(=O)O)N2CCCCC2)=C1F
InChIInChI=1S/C16H24FNO2/c1-2-7-12-8-6-9-13(14(12)17)15(16(19)20)18-10-4-3-5-11-18/h6,9,12,15H,2-5,7-8,10-11H2,1H3,(H,19,20)
InChIKeyRALCRFVNHYPWAB-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.53
Rot. Bonds5

About 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid

2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid (PubChem CID 91175461) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid
PubChem CID91175461
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid
SMILESCCCC1CC=CC(C(C(=O)O)N2CCCCC2)=C1F
InChIInChI=1S/C16H24FNO2/c1-2-7-12-8-6-9-13(14(12)17)15(16(19)20)18-10-4-3-5-11-18/h6,9,12,15H,2-5,7-8,10-11H2,1H3,(H,19,20)
InChIKeyRALCRFVNHYPWAB-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid (CID 91175461) is 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid is CCCC1CC=CC(C(C(=O)O)N2CCCCC2)=C1F.
What is the InChIKey of 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is RALCRFVNHYPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-7-12-8-6-9-13(14(12)17)15(16(19)20)18-10-4-3-5-11-18/h6,9,12,15H,2-5,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid?
2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 281.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-propylcyclohexa-1,5-dien-1-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 91175461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).