1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid

C11H20FNO2 — CID 80694300

IUPAC1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCF)CC1
InChIInChI=1S/C11H20FNO2/c1-2-3-11(10(14)15)4-7-13(8-5-11)9-6-12/h2-9H2,1H3,(H,14,15)
InChIKeyKCDITWOLVUFUDB-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.92
Rot. Bonds5

About 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid

1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 80694300) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID80694300
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCF)CC1
InChIInChI=1S/C11H20FNO2/c1-2-3-11(10(14)15)4-7-13(8-5-11)9-6-12/h2-9H2,1H3,(H,14,15)
InChIKeyKCDITWOLVUFUDB-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid (CID 80694300) is 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is KCDITWOLVUFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-2-3-11(10(14)15)4-7-13(8-5-11)9-6-12/h2-9H2,1H3,(H,14,15).
What are the key properties of 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid?
1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 217.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 80694300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).