7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

C21H26N2 — CID 13457903

IUPAC7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
InChIInChI=1S/C21H26N2/c1-2-12-22-13-14-23-15-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21(23)16-22/h3-11,20-21H,2,12-16H2,1H3
InChIKeyROSKSLIDABRGDY-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.90
Rot. Bonds3

About 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 13457903) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID13457903
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1
InChIInChI=1S/C21H26N2/c1-2-12-22-13-14-23-15-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21(23)16-22/h3-11,20-21H,2,12-16H2,1H3
InChIKeyROSKSLIDABRGDY-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnarizine
CID 1547484
Cyclizine
CID 6726
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Cyclizine Hydrochloride
CID 6420019
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
MT-45
CID 431865
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
Cyclizine dihydrochloride
CID 67533
1-(Diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2761
Diphenidine
CID 206666
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 13457903) is 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is CCCN1CCN2CC(c3ccccc3)c3ccccc3C2C1.
What is the InChIKey of 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is ROSKSLIDABRGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-12-22-13-14-23-15-20(17-8-4-3-5-9-17)18-10-6-7-11-19(18)21(23)16-22/h3-11,20-21H,2,12-16H2,1H3.
What are the key properties of 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 306.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-propyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 13457903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).