3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid

C9H16FNO2 — CID 177299482

IUPAC3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)C(F)C1
InChIInChI=1S/C9H16FNO2/c1-6(2)11-4-3-7(9(12)13)8(10)5-11/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyDEHYYIBKKFWMRV-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds2

About 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid

3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 177299482) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID177299482
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)C(F)C1
InChIInChI=1S/C9H16FNO2/c1-6(2)11-4-3-7(9(12)13)8(10)5-11/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyDEHYYIBKKFWMRV-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid (CID 177299482) is 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid is CC(C)N1CCC(C(=O)O)C(F)C1.
What is the InChIKey of 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is DEHYYIBKKFWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6(2)11-4-3-7(9(12)13)8(10)5-11/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid?
3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 177299482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).