4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid

C10H16N4O2 — CID 18446333

IUPAC4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCn2ccnn2)CCN1
InChIInChI=1S/C10H16N4O2/c15-10(16)9-7-8(1-3-11-9)2-5-14-6-4-12-13-14/h4,6,8-9,11H,1-3,5,7H2,(H,15,16)
InChIKeyPBDFFSMTHPJEHY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.12
Rot. Bonds4

About 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid

4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 18446333) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID18446333
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCn2ccnn2)CCN1
InChIInChI=1S/C10H16N4O2/c15-10(16)9-7-8(1-3-11-9)2-5-14-6-4-12-13-14/h4,6,8-9,11H,1-3,5,7H2,(H,15,16)
InChIKeyPBDFFSMTHPJEHY-UHFFFAOYSA-N
XLogP0.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid (CID 18446333) is 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid is O=C(O)C1CC(CCn2ccnn2)CCN1.
What is the InChIKey of 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is PBDFFSMTHPJEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10(16)9-7-8(1-3-11-9)2-5-14-6-4-12-13-14/h4,6,8-9,11H,1-3,5,7H2,(H,15,16).
What are the key properties of 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid?
4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(triazol-1-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 18446333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).