1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid

C11H14FN3O2 — CID 134328997

IUPAC1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid
SMILESNc1cncc(F)c1N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H14FN3O2/c12-8-5-14-6-9(13)10(8)15-3-1-7(2-4-15)11(16)17/h5-7H,1-4,13H2,(H,16,17)
InChIKeyYKSBMCPMBHCJAW-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid

1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 134328997) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid
PubChem CID134328997
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid
SMILESNc1cncc(F)c1N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H14FN3O2/c12-8-5-14-6-9(13)10(8)15-3-1-7(2-4-15)11(16)17/h5-7H,1-4,13H2,(H,16,17)
InChIKeyYKSBMCPMBHCJAW-UHFFFAOYSA-N
XLogP1.10
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyridin-4-yl)piperidine-4-carboxylic acid
CID 1268289
1-(Pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 16217269
4-Methyl-1-(pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 121553478
1-Pyridin-1-ium-4-ylpiperidine-4-carboxylate
CID 40487080
1-[(2-Fluoropyridin-4-yl)methyl]piperidine-4-carboxylic acid
CID 20754487
(1-Pyridin-4-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 22052400
1-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid
CID 23441777
2-(1-(2-Fluoropyridin-4-yl)piperidin-4-yl)acetic acid
CID 57962158
2-[1-(3-Fluoro-4-pyridinyl)piperidin-4-yl]acetic acid
CID 57962364
4-Methyl-1-pyridin-4-ylpiperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68594399
2-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-yl)ethylamine trifluoroacetate
CID 69158461
1-(2-Fluoropyridin-4-yl)piperidine-4-carboxylic acid
CID 69412153

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid (CID 134328997) is 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid is Nc1cncc(F)c1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is YKSBMCPMBHCJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-5-14-6-9(13)10(8)15-3-1-7(2-4-15)11(16)17/h5-7H,1-4,13H2,(H,16,17).
What are the key properties of 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid?
1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 134328997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).