3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid

C10H17FN2O2 — CID 115029570

IUPAC3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C2CCNCC2)C1
InChIInChI=1S/C10H17FN2O2/c11-10(9(14)15)3-6-13(7-10)8-1-4-12-5-2-8/h8,12H,1-7H2,(H,14,15)
InChIKeyHVCUABRFOVSYQY-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.24
Rot. Bonds2

About 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid

3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid (PubChem CID 115029570) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid
PubChem CID115029570
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C2CCNCC2)C1
InChIInChI=1S/C10H17FN2O2/c11-10(9(14)15)3-6-13(7-10)8-1-4-12-5-2-8/h8,12H,1-7H2,(H,14,15)
InChIKeyHVCUABRFOVSYQY-UHFFFAOYSA-N
XLogP0.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]butanoic acid
CID 60782801
3-Fluoro-1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 115037780
4-Fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid
CID 115037781
1-Piperidin-3-ylpyrrolidine-3-carboxylic acid
CID 53414007
1-Piperidin-4-ylpyrrolidine-3-carboxylic acid
CID 53414011
1-(1-Methylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 58135888
1-(2,2,6,6-Tetramethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70556566
2-Methyl-4-[(1-methylpiperidin-4-yl)amino]butanoic acid
CID 115220582
4-[3-Methylbutyl(piperidin-4-yl)amino]butanoic acid
CID 138640733
Methyl 1-(piperidin-4-YL)pyrrolidine-3-carboxylate
CID 19261407
1-(Pyrrolidin-3-YL)piperidine-4-carboxylic acid
CID 53414015
2-Amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 55143176

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid (CID 115029570) is 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid is O=C(O)C1(F)CCN(C2CCNCC2)C1.
What is the InChIKey of 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid?
The InChIKey is HVCUABRFOVSYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c11-10(9(14)15)3-6-13(7-10)8-1-4-12-5-2-8/h8,12H,1-7H2,(H,14,15).
What are the key properties of 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid?
3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-piperidin-4-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115029570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).