4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid

C12H19FN2O4 — CID 178182220

IUPAC4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCN(C(=O)O)CC2F)CC1
InChIInChI=1S/C12H19FN2O4/c13-10-7-15(12(18)19)6-3-9(10)8-1-4-14(5-2-8)11(16)17/h8-10H,1-7H2,(H,16,17)(H,18,19)
InChIKeyNXPTUTQUQYYZFY-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.71
Rot. Bonds1

About 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid

4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid (PubChem CID 178182220) has the molecular formula C12H19FN2O4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid
PubChem CID178182220
Molecular FormulaC12H19FN2O4
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCN(C(=O)O)CC2F)CC1
InChIInChI=1S/C12H19FN2O4/c13-10-7-15(12(18)19)6-3-9(10)8-1-4-14(5-2-8)11(16)17/h8-10H,1-7H2,(H,16,17)(H,18,19)
InChIKeyNXPTUTQUQYYZFY-UHFFFAOYSA-N
XLogP1.71
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid (CID 178182220) is 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid is O=C(O)N1CCC(C2CCN(C(=O)O)CC2F)CC1.
What is the InChIKey of 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is NXPTUTQUQYYZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4/c13-10-7-15(12(18)19)6-3-9(10)8-1-4-14(5-2-8)11(16)17/h8-10H,1-7H2,(H,16,17)(H,18,19).
What are the key properties of 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid?
4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 274.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carboxypiperidin-4-yl)-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 178182220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).