4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid

C11H19FN2O2 — CID 115037781

IUPAC4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H19FN2O2/c12-11(10(15)16)3-7-14(8-4-11)9-1-5-13-6-2-9/h9,13H,1-8H2,(H,15,16)
InChIKeyAQQQOARMDYJOPO-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.63
Rot. Bonds2

About 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid

4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid (PubChem CID 115037781) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid
PubChem CID115037781
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H19FN2O2/c12-11(10(15)16)3-7-14(8-4-11)9-1-5-13-6-2-9/h9,13H,1-8H2,(H,15,16)
InChIKeyAQQQOARMDYJOPO-UHFFFAOYSA-N
XLogP0.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid (CID 115037781) is 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1(F)CCN(C2CCNCC2)CC1.
What is the InChIKey of 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is AQQQOARMDYJOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c12-11(10(15)16)3-7-14(8-4-11)9-1-5-13-6-2-9/h9,13H,1-8H2,(H,15,16).
What are the key properties of 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid?
4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 230.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-piperidin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 115037781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).