7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C19H21FN2 — CID 134143977

IUPAC7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1Cc1ccccc1)CCC1CNCCN21
InChIInChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
InChIKeySYDFROBMNFAPBV-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.14
Rot. Bonds2

About 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 134143977) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID134143977
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESFc1ccc2c(c1Cc1ccccc1)CCC1CNCCN21
InChIInChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2
InChIKeySYDFROBMNFAPBV-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 134143977) is 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is Fc1ccc2c(c1Cc1ccccc1)CCC1CNCCN21.
What is the InChIKey of 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is SYDFROBMNFAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c20-18-8-9-19-16(7-6-15-13-21-10-11-22(15)19)17(18)12-14-4-2-1-3-5-14/h1-5,8-9,15,21H,6-7,10-13H2.
What are the key properties of 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 296.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 134143977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).