2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine

C24H27N3 — CID 69202900

IUPAC2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
SMILESCc1ccc(-c2nc(C)c(C3CCCCN3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3/c1-16-7-11-19(12-8-16)23-24(20-13-9-17(2)10-14-20)27-22(18(3)26-23)21-6-4-5-15-25-21/h7-14,21,25H,4-6,15H2,1-3H3
InChIKeyQMQHLBUUFBAKPR-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.55
Rot. Bonds3

About 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine

2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine (PubChem CID 69202900) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine.

Molecular Properties

Compound Name2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
PubChem CID69202900
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
SMILESCc1ccc(-c2nc(C)c(C3CCCCN3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27N3/c1-16-7-11-19(12-8-16)23-24(20-13-9-17(2)10-14-20)27-22(18(3)26-23)21-6-4-5-15-25-21/h7-14,21,25H,4-6,15H2,1-3H3
InChIKeyQMQHLBUUFBAKPR-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
2-(4-fluorophenyl)-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115069914
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
CID 115003868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine?
The IUPAC name of 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine (CID 69202900) is 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine.
What is the SMILES notation for 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine?
The canonical SMILES for 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine is Cc1ccc(-c2nc(C)c(C3CCCCN3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine?
The InChIKey is QMQHLBUUFBAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-16-7-11-19(12-8-16)23-24(20-13-9-17(2)10-14-20)27-22(18(3)26-23)21-6-4-5-15-25-21/h7-14,21,25H,4-6,15H2,1-3H3.
What are the key properties of 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine?
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine has a molecular weight of 357.50 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine is sourced from PubChem (CID 69202900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).