2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride

C16H24ClN5 — CID 171687287

IUPAC2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
SMILESCC(C)n1nccc1-c1nccnc1CC1CCNCC1.Cl
InChIInChI=1S/C16H23N5.ClH/c1-12(2)21-15(5-8-20-21)16-14(18-9-10-19-16)11-13-3-6-17-7-4-13;/h5,8-10,12-13,17H,3-4,6-7,11H2,1-2H3;1H
InChIKeyVJWQXUPMZKEDOH-UHFFFAOYSA-N
MW321.86 g/mol
LogP2.88
Rot. Bonds4

About 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride

2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride (PubChem CID 171687287) has the molecular formula C16H24ClN5 and a molecular weight of 321.86 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
PubChem CID171687287
Molecular FormulaC16H24ClN5
Molecular Weight321.86 g/mol
Exact Mass321.17
IUPAC Name2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
SMILESCC(C)n1nccc1-c1nccnc1CC1CCNCC1.Cl
InChIInChI=1S/C16H23N5.ClH/c1-12(2)21-15(5-8-20-21)16-14(18-9-10-19-16)11-13-3-6-17-7-4-13;/h5,8-10,12-13,17H,3-4,6-7,11H2,1-2H3;1H
InChIKeyVJWQXUPMZKEDOH-UHFFFAOYSA-N
XLogP2.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110101653
N,N-dimethyl-3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101531
4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
CID 110101288
(4S)-4-[(3-phenylpyrazin-2-yl)methyl]azepane
CID 95844340
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
CID 171699876
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
3-chloro-2-(piperidin-4-ylmethyl)pyridine
CID 115008688
3-methoxy-2-(piperidin-4-ylmethyl)pyridine
CID 103840872
2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
CID 125025306
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride?
The IUPAC name of 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride (CID 171687287) is 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride is CC(C)n1nccc1-c1nccnc1CC1CCNCC1.Cl.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride?
The InChIKey is VJWQXUPMZKEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5.ClH/c1-12(2)21-15(5-8-20-21)16-14(18-9-10-19-16)11-13-3-6-17-7-4-13;/h5,8-10,12-13,17H,3-4,6-7,11H2,1-2H3;1H.
What are the key properties of 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride?
2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride is sourced from PubChem (CID 171687287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).