7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C19H22N2 — CID 134139964

IUPAC7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESc1ccc(Cc2cccc3c2CCC2CNCCN32)cc1
InChIInChI=1S/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
InChIKeyIAJGHVPYWZBQQT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.00
Rot. Bonds2

About 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 134139964) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID134139964
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESc1ccc(Cc2cccc3c2CCC2CNCCN32)cc1
InChIInChI=1S/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2
InChIKeyIAJGHVPYWZBQQT-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 134139964) is 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is c1ccc(Cc2cccc3c2CCC2CNCCN32)cc1.
What is the InChIKey of 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is IAJGHVPYWZBQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-5-15(6-3-1)13-16-7-4-8-19-18(16)10-9-17-14-20-11-12-21(17)19/h1-8,17,20H,9-14H2.
What are the key properties of 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 278.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 134139964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).