5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid

C9H14N4O2 — CID 175797222

IUPAC5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCC(n2ccnn2)N(C(=O)O)C1
InChIInChI=1S/C9H14N4O2/c1-7-2-3-8(12(6-7)9(14)15)13-5-4-10-11-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyYPEMNTLXVGROLJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.19
Rot. Bonds1

About 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid

5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 175797222) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid
PubChem CID175797222
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCC(n2ccnn2)N(C(=O)O)C1
InChIInChI=1S/C9H14N4O2/c1-7-2-3-8(12(6-7)9(14)15)13-5-4-10-11-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyYPEMNTLXVGROLJ-UHFFFAOYSA-N
XLogP1.19
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
phenyl-[2-(triazol-1-yl)piperazin-1-yl]methanone
CID 69152119
2-benzyl-5-methylpiperidine-1-carboxylic acid
CID 175023427
2-ethyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 121154833
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932
2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 146088228
(2S,4S)-2-(1H-imidazol-2-yl)-4-methylpyrrolidine-1-carboxylic acid
CID 89103770
N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154889
(2S,4S)-1-methyl-4-(triazol-1-yl)pyrrolidine-2-carbohydrazide
CID 137415029
2-cyclopentylidene-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 136521619
N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121183847
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid (CID 175797222) is 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid is CC1CCC(n2ccnn2)N(C(=O)O)C1.
What is the InChIKey of 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is YPEMNTLXVGROLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-2-3-8(12(6-7)9(14)15)13-5-4-10-11-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid?
5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(triazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175797222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).