4-fluoro-4-propylpiperidine-2-carboxylic acid

C9H16FNO2 — CID 18446280

IUPAC4-fluoro-4-propylpiperidine-2-carboxylic acid
SMILESCCCC1(F)CCNC(C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-2-3-9(10)4-5-11-7(6-9)8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyXOJKYRONHSCESN-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.33
Rot. Bonds3

About 4-fluoro-4-propylpiperidine-2-carboxylic acid

4-fluoro-4-propylpiperidine-2-carboxylic acid (PubChem CID 18446280) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-fluoro-4-propylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-propylpiperidine-2-carboxylic acid
PubChem CID18446280
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-fluoro-4-propylpiperidine-2-carboxylic acid
SMILESCCCC1(F)CCNC(C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-2-3-9(10)4-5-11-7(6-9)8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyXOJKYRONHSCESN-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propylpiperidine-2-carboxylic acid?
The IUPAC name of 4-fluoro-4-propylpiperidine-2-carboxylic acid (CID 18446280) is 4-fluoro-4-propylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-propylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-fluoro-4-propylpiperidine-2-carboxylic acid is CCCC1(F)CCNC(C(=O)O)C1.
What is the InChIKey of 4-fluoro-4-propylpiperidine-2-carboxylic acid?
The InChIKey is XOJKYRONHSCESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-3-9(10)4-5-11-7(6-9)8(12)13/h7,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-fluoro-4-propylpiperidine-2-carboxylic acid?
4-fluoro-4-propylpiperidine-2-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-propylpiperidine-2-carboxylic acid is sourced from PubChem (CID 18446280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).