4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid

C10H12FN3O2 — CID 66986290

IUPAC4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccnc2F)CC1
InChIInChI=1S/C10H12FN3O2/c11-9-8(12-3-4-13-9)7-1-5-14(6-2-7)10(15)16/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyZWMLEBUHRGDFBL-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.47
Rot. Bonds1

About 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid

4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid (PubChem CID 66986290) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
PubChem CID66986290
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccnc2F)CC1
InChIInChI=1S/C10H12FN3O2/c11-9-8(12-3-4-13-9)7-1-5-14(6-2-7)10(15)16/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKeyZWMLEBUHRGDFBL-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67997271
4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
CID 174789377
4-(5,6-difluoro-3-nitro-2-pyridinyl)piperidine-1-carboxylic acid
CID 67135803
4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid
CID 87407286
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110116957
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
CID 18359197
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 57256417
4-[5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylic acid
CID 90101594
4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 146487791

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid (CID 66986290) is 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nccnc2F)CC1.
What is the InChIKey of 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid?
The InChIKey is ZWMLEBUHRGDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-9-8(12-3-4-13-9)7-1-5-14(6-2-7)10(15)16/h3-4,7H,1-2,5-6H2,(H,15,16).
What are the key properties of 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid?
4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66986290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).