2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine

C16H19N3 — CID 95846535

IUPAC2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
SMILESCc1ccc(-c2cnc([C@@H]3CCCNC3)cn2)cc1
InChIInChI=1S/C16H19N3/c1-12-4-6-13(7-5-12)15-10-19-16(11-18-15)14-3-2-8-17-9-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3/t14-/m1/s1
InChIKeyFQONPLGOGIFOBG-CQSZACIVSA-N
MW253.35 g/mol
LogP2.92
Rot. Bonds2

About 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine

2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine (PubChem CID 95846535) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
PubChem CID95846535
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
SMILESCc1ccc(-c2cnc([C@@H]3CCCNC3)cn2)cc1
InChIInChI=1S/C16H19N3/c1-12-4-6-13(7-5-12)15-10-19-16(11-18-15)14-3-2-8-17-9-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3/t14-/m1/s1
InChIKeyFQONPLGOGIFOBG-CQSZACIVSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[(3S)-piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 95825430
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
CID 95846579
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine
CID 95846721
2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 95823573
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine?
The IUPAC name of 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine (CID 95846535) is 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine is Cc1ccc(-c2cnc([C@@H]3CCCNC3)cn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine?
The InChIKey is FQONPLGOGIFOBG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-4-6-13(7-5-12)15-10-19-16(11-18-15)14-3-2-8-17-9-14/h4-7,10-11,14,17H,2-3,8-9H2,1H3/t14-/m1/s1.
What are the key properties of 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine?
2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine has a molecular weight of 253.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine is sourced from PubChem (CID 95846535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).