1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid

C17H23F2NO2 — CID 4265731

IUPAC1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1ccc(F)cc1F)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H23F2NO2/c1-2-3-6-16(14-8-7-13(18)10-15(14)19)20-9-4-5-12(11-20)17(21)22/h7-8,10,12,16H,2-6,9,11H2,1H3,(H,21,22)
InChIKeyLEWRSYYRGTZTOW-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.99
Rot. Bonds6

About 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid

1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid (PubChem CID 4265731) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid
PubChem CID4265731
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid
SMILESCCCCC(c1ccc(F)cc1F)N1CCCC(C(=O)O)C1
InChIInChI=1S/C17H23F2NO2/c1-2-3-6-16(14-8-7-13(18)10-15(14)19)20-9-4-5-12(11-20)17(21)22/h7-8,10,12,16H,2-6,9,11H2,1H3,(H,21,22)
InChIKeyLEWRSYYRGTZTOW-UHFFFAOYSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid (CID 4265731) is 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid is CCCCC(c1ccc(F)cc1F)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid?
The InChIKey is LEWRSYYRGTZTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-2-3-6-16(14-8-7-13(18)10-15(14)19)20-9-4-5-12(11-20)17(21)22/h7-8,10,12,16H,2-6,9,11H2,1H3,(H,21,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid?
1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid has a molecular weight of 311.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)pentyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4265731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).