3-(2-tert-butylpyrazol-3-yl)piperidine

C12H21N3 — CID 83392631

IUPAC3-(2-tert-butylpyrazol-3-yl)piperidine
SMILESCC(C)(C)n1nccc1C1CCCNC1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-11(6-8-14-15)10-5-4-7-13-9-10/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyALGBEHHQUQHNGO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds1

About 3-(2-tert-butylpyrazol-3-yl)piperidine

3-(2-tert-butylpyrazol-3-yl)piperidine (PubChem CID 83392631) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-tert-butylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(2-tert-butylpyrazol-3-yl)piperidine
PubChem CID83392631
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(2-tert-butylpyrazol-3-yl)piperidine
SMILESCC(C)(C)n1nccc1C1CCCNC1
InChIInChI=1S/C12H21N3/c1-12(2,3)15-11(6-8-14-15)10-5-4-7-13-9-10/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyALGBEHHQUQHNGO-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride
CID 118167091
3-(2-cyclopentylpyrazol-3-yl)piperidine
CID 102547955
2-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392327
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride
CID 141288501
3-(4-tert-butylphenyl)piperidine
CID 24904200
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
CID 130791824
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
4-piperidin-3-ylpyrazolo[1,5-a]pyridine
CID 83831871
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrazol-3-yl)piperidine?
The IUPAC name of 3-(2-tert-butylpyrazol-3-yl)piperidine (CID 83392631) is 3-(2-tert-butylpyrazol-3-yl)piperidine.
What is the SMILES notation for 3-(2-tert-butylpyrazol-3-yl)piperidine?
The canonical SMILES for 3-(2-tert-butylpyrazol-3-yl)piperidine is CC(C)(C)n1nccc1C1CCCNC1.
What is the InChIKey of 3-(2-tert-butylpyrazol-3-yl)piperidine?
The InChIKey is ALGBEHHQUQHNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)15-11(6-8-14-15)10-5-4-7-13-9-10/h6,8,10,13H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(2-tert-butylpyrazol-3-yl)piperidine?
3-(2-tert-butylpyrazol-3-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrazol-3-yl)piperidine is sourced from PubChem (CID 83392631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).