2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole

C25H26N2 — CID 170032378

IUPAC2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole
SMILESCc1ccc2c(c1)CC1(c3ccccc3)CN(Cc3ccccc3)CCN21
InChIInChI=1S/C25H26N2/c1-20-12-13-24-22(16-20)17-25(23-10-6-3-7-11-23)19-26(14-15-27(24)25)18-21-8-4-2-5-9-21/h2-13,16H,14-15,17-19H2,1H3
InChIKeyVZPBWIZSATWMSI-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.77
Rot. Bonds3

About 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole

2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole (PubChem CID 170032378) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole
PubChem CID170032378
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole
SMILESCc1ccc2c(c1)CC1(c3ccccc3)CN(Cc3ccccc3)CCN21
InChIInChI=1S/C25H26N2/c1-20-12-13-24-22(16-20)17-25(23-10-6-3-7-11-23)19-26(14-15-27(24)25)18-21-8-4-2-5-9-21/h2-13,16H,14-15,17-19H2,1H3
InChIKeyVZPBWIZSATWMSI-UHFFFAOYSA-N
XLogP4.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
CID 146485816
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
CID 64832083
(5S)-1-benzyl-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 1425293
(5R)-1-benzyl-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 1425291
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
CID 6487972
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
CID 130137268
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-(2,4-dimethylphenyl)-4-[[(1R,2R)-2-methyl-2-phenylcyclopropyl]methyl]piperazine
CID 25141221
1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
CID 175775241
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
4-benzyl-N-ethylpiperazin-1-amine
CID 67164318

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole (CID 170032378) is 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole is Cc1ccc2c(c1)CC1(c3ccccc3)CN(Cc3ccccc3)CCN21.
What is the InChIKey of 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole?
The InChIKey is VZPBWIZSATWMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-20-12-13-24-22(16-20)17-25(23-10-6-3-7-11-23)19-26(14-15-27(24)25)18-21-8-4-2-5-9-21/h2-13,16H,14-15,17-19H2,1H3.
What are the key properties of 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole?
2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole has a molecular weight of 354.50 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 170032378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).