4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride

C12H23Cl2N3 — CID 118167091

IUPAC4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride
SMILESCC(C)(C)n1nccc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-12(2,3)15-11(6-9-14-15)10-4-7-13-8-5-10;;/h6,9-10,13H,4-5,7-8H2,1-3H3;2*1H
InChIKeyWIATYUWMNFZYLF-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.95
Rot. Bonds1

About 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride

4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride (PubChem CID 118167091) has the molecular formula C12H23Cl2N3 and a molecular weight of 280.24 g/mol. Its IUPAC name is 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride
PubChem CID118167091
Molecular FormulaC12H23Cl2N3
Molecular Weight280.24 g/mol
Exact Mass279.13
IUPAC Name4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride
SMILESCC(C)(C)n1nccc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-12(2,3)15-11(6-9-14-15)10-4-7-13-8-5-10;;/h6,9-10,13H,4-5,7-8H2,1-3H3;2*1H
InChIKeyWIATYUWMNFZYLF-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392631
2-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392327
4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
CID 118167040
4-(5-cyclopentylpyrazol-1-yl)piperidine
CID 84787054
3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982600
4-(2-bromo-3-ethylimidazol-4-yl)piperidine
CID 117260024
1-methyl-5-piperidin-4-ylpyrazol-3-amine
CID 83409077
3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
CID 119932582
7-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 82404951
1-tert-butyl-5-iodopyrazole
CID 83382816
1-methyl-6-piperidin-4-ylpyrrolo[1,2-a]pyrazine
CID 96611470
1-tert-butyl-5-cyclopropyl-N-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119441384

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride (CID 118167091) is 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride is CC(C)(C)n1nccc1C1CCNCC1.Cl.Cl.
What is the InChIKey of 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride?
The InChIKey is WIATYUWMNFZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.2ClH/c1-12(2,3)15-11(6-9-14-15)10-4-7-13-8-5-10;;/h6,9-10,13H,4-5,7-8H2,1-3H3;2*1H.
What are the key properties of 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride?
4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride has a molecular weight of 280.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride is sourced from PubChem (CID 118167091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).