1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid

C15H17FN4O2 — CID 71821264

IUPAC1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O2/c16-13-3-1-2-4-14(13)20-12(9-17-18-20)10-19-7-5-11(6-8-19)15(21)22/h1-4,9,11H,5-8,10H2,(H,21,22)
InChIKeyXBJZFAUERUTQRQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.70
Rot. Bonds4

About 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid

1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 71821264) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID71821264
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O2/c16-13-3-1-2-4-14(13)20-12(9-17-18-20)10-19-7-5-11(6-8-19)15(21)22/h1-4,9,11H,5-8,10H2,(H,21,22)
InChIKeyXBJZFAUERUTQRQ-UHFFFAOYSA-N
XLogP1.70
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid (CID 71821264) is 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is XBJZFAUERUTQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-13-3-1-2-4-14(13)20-12(9-17-18-20)10-19-7-5-11(6-8-19)15(21)22/h1-4,9,11H,5-8,10H2,(H,21,22).
What are the key properties of 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)triazol-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 71821264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).