1-pyrazin-2-ylpiperidine-4-carboxylic acid

C10H13N3O2 — CID 1455310

IUPAC1-pyrazin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyTXAFIGZHASGILY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About 1-pyrazin-2-ylpiperidine-4-carboxylic acid

1-pyrazin-2-ylpiperidine-4-carboxylic acid (PubChem CID 1455310) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-pyrazin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pyrazin-2-ylpiperidine-4-carboxylic acid
PubChem CID1455310
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-pyrazin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C10H13N3O2/c14-10(15)8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyTXAFIGZHASGILY-UHFFFAOYSA-N
XLogP0.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(pyrazin-2-yl)piperidine-4-carboxylate
CID 2867731
Methyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
CID 2766302
1-(Pyrazin-2-yl)piperidine-3-carboxylic acid
CID 16786441
1-(3-Aminopyrazin-2-yl)piperidine-4-carboxylic acid
CID 49837162
2-(1-Pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
[2-(1-Pyrazin-2-ylpiperidin-4-yl)acetyl] 2,2,2-trifluoroacetate
CID 87188465
4-Fluoro-1-pyrazin-2-ylpiperidine-4-carboxylic acid
CID 142475897
1-(6-Fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 155163063
(3S)-1-(6-fluoropyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 155285137
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylic acid
CID 170716488
1-(3-Amino-6-bromopyrazin-2-yl)-3-methylpiperidine-4-carboxylic acid
CID 91211922
3-Fluoro-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120202478

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pyrazin-2-ylpiperidine-4-carboxylic acid (CID 1455310) is 1-pyrazin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pyrazin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pyrazin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-pyrazin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is TXAFIGZHASGILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15).
What are the key properties of 1-pyrazin-2-ylpiperidine-4-carboxylic acid?
1-pyrazin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 1455310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).