7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride

C19H21Cl2F3N2 — CID 21292107

IUPAC7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc2c(c1)C(c1ccccc1)CN1CCNCC21
InChIInChI=1S/C19H19F3N2.2ClH/c20-19(21,22)14-6-7-15-16(10-14)17(13-4-2-1-3-5-13)12-24-9-8-23-11-18(15)24;;/h1-7,10,17-18,23H,8-9,11-12H2;2*1H
InChIKeyFKCNMTKQVXONAT-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.64
Rot. Bonds1

About 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride

7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride (PubChem CID 21292107) has the molecular formula C19H21Cl2F3N2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride.

Molecular Properties

Compound Name7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
PubChem CID21292107
Molecular FormulaC19H21Cl2F3N2
Molecular Weight405.29 g/mol
Exact Mass404.10
IUPAC Name7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccc2c(c1)C(c1ccccc1)CN1CCNCC21
InChIInChI=1S/C19H19F3N2.2ClH/c20-19(21,22)14-6-7-15-16(10-14)17(13-4-2-1-3-5-13)12-24-9-8-23-11-18(15)24;;/h1-7,10,17-18,23H,8-9,11-12H2;2*1H
InChIKeyFKCNMTKQVXONAT-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
The IUPAC name of 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride (CID 21292107) is 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride.
What is the SMILES notation for 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
The canonical SMILES for 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride is Cl.Cl.FC(F)(F)c1ccc2c(c1)C(c1ccccc1)CN1CCNCC21.
What is the InChIKey of 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
The InChIKey is FKCNMTKQVXONAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2.2ClH/c20-19(21,22)14-6-7-15-16(10-14)17(13-4-2-1-3-5-13)12-24-9-8-23-11-18(15)24;;/h1-7,10,17-18,23H,8-9,11-12H2;2*1H.
What are the key properties of 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride?
7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride has a molecular weight of 405.29 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-9-(trifluoromethyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;dihydrochloride is sourced from PubChem (CID 21292107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).