2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine

C19H25ClN2 — CID 141167835

IUPAC2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine
SMILESCC1(C)CCC(c2ccc(Cl)cc2)=C(CC2CNC=CN2)C1
InChIInChI=1S/C19H25ClN2/c1-19(2)8-7-18(14-3-5-16(20)6-4-14)15(12-19)11-17-13-21-9-10-22-17/h3-6,9-10,17,21-22H,7-8,11-13H2,1-2H3
InChIKeyQPTBOYGEBIYKIF-UHFFFAOYSA-N
MW316.88 g/mol
LogP4.73
Rot. Bonds3

About 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine

2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine (PubChem CID 141167835) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine
PubChem CID141167835
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC Name2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine
SMILESCC1(C)CCC(c2ccc(Cl)cc2)=C(CC2CNC=CN2)C1
InChIInChI=1S/C19H25ClN2/c1-19(2)8-7-18(14-3-5-16(20)6-4-14)15(12-19)11-17-13-21-9-10-22-17/h3-6,9-10,17,21-22H,7-8,11-13H2,1-2H3
InChIKeyQPTBOYGEBIYKIF-UHFFFAOYSA-N
XLogP4.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine (CID 141167835) is 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine is CC1(C)CCC(c2ccc(Cl)cc2)=C(CC2CNC=CN2)C1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine?
The InChIKey is QPTBOYGEBIYKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-19(2)8-7-18(14-3-5-16(20)6-4-14)15(12-19)11-17-13-21-9-10-22-17/h3-6,9-10,17,21-22H,7-8,11-13H2,1-2H3.
What are the key properties of 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine?
2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine has a molecular weight of 316.88 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine is sourced from PubChem (CID 141167835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).