2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine

C19H21N5O — CID 136537514

IUPAC2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
SMILESc1ccc(-n2ccc(CN3CCC(Oc4cnccn4)CC3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-17(5-3-1)24-13-6-16(22-24)15-23-11-7-18(8-12-23)25-19-14-20-9-10-21-19/h1-6,9-10,13-14,18H,7-8,11-12,15H2
InChIKeyRFUBCUVTBRSHLR-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds5

About 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine

2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine (PubChem CID 136537514) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
PubChem CID136537514
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine
SMILESc1ccc(-n2ccc(CN3CCC(Oc4cnccn4)CC3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-17(5-3-1)24-13-6-16(22-24)15-23-11-7-18(8-12-23)25-19-14-20-9-10-21-19/h1-6,9-10,13-14,18H,7-8,11-12,15H2
InChIKeyRFUBCUVTBRSHLR-UHFFFAOYSA-N
XLogP2.71
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine
CID 138037685
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine
CID 138029905
1-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63595893
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115966906
N-methyl-1-[1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922019
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
2-[1-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]oxypyrazine
CID 46980830
2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
CID 82691447
2-chloro-6-[1-[(4-pyrazin-2-yloxyphenyl)methyl]piperidin-4-yl]oxypyrazine
CID 154806612
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine (CID 136537514) is 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine is c1ccc(-n2ccc(CN3CCC(Oc4cnccn4)CC3)n2)cc1.
What is the InChIKey of 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
The InChIKey is RFUBCUVTBRSHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-4-17(5-3-1)24-13-6-16(22-24)15-23-11-7-18(8-12-23)25-19-14-20-9-10-21-19/h1-6,9-10,13-14,18H,7-8,11-12,15H2.
What are the key properties of 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine?
2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine has a molecular weight of 335.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]oxypyrazine is sourced from PubChem (CID 136537514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).