1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid

C17H24FNO2 — CID 4273913

IUPAC1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1ccccc1F)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24FNO2/c1-2-3-10-16(14-8-4-5-9-15(14)18)19-11-6-7-13(12-19)17(20)21/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21)
InChIKeyJDLPNMCTKPWRAP-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.85
Rot. Bonds6

About 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid

1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid (PubChem CID 4273913) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid
PubChem CID4273913
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1ccccc1F)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H24FNO2/c1-2-3-10-16(14-8-4-5-9-15(14)18)19-11-6-7-13(12-19)17(20)21/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21)
InChIKeyJDLPNMCTKPWRAP-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid (CID 4273913) is 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid is CCCCC(c1ccccc1F)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid?
The InChIKey is JDLPNMCTKPWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-3-10-16(14-8-4-5-9-15(14)18)19-11-6-7-13(12-19)17(20)21/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21).
What are the key properties of 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid?
1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid has a molecular weight of 293.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)pentyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4273913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).