tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

C17H21FN2O2 — CID 141048391

IUPACtert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(F)cc3n21
InChIInChI=1S/C17H21FN2O2/c1-11-9-19(16(21)22-17(2,3)4)10-14-7-12-5-6-13(18)8-15(12)20(11)14/h5-8,11H,9-10H2,1-4H3
InChIKeyAHCRNEMQXDZBJS-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.09
Rot. Bonds

About tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (PubChem CID 141048391) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
PubChem CID141048391
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Nametert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(F)cc3n21
InChIInChI=1S/C17H21FN2O2/c1-11-9-19(16(21)22-17(2,3)4)10-14-7-12-5-6-13(18)8-15(12)20(11)14/h5-8,11H,9-10H2,1-4H3
InChIKeyAHCRNEMQXDZBJS-UHFFFAOYSA-N
XLogP4.09
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,5R)-4-(4-fluorophenyl)-3,5-dimethylpiperazine-1-carboxylate
CID 171770663
tert-butyl (3S,4S,5S)-3-(3,6-difluorocarbazol-9-yl)-4,5-dihydroxypiperidine-1-carboxylate
CID 135315512
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804
tert-butyl (13R)-4-chloro-5-ethoxy-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-11-carboxylate
CID 86596339
tert-butyl 2-fluoro-7-oxo-8,9-dihydro-6H-pyrido[1,2-a]indole-6-carboxylate
CID 121468825
tert-butyl 3-(2-bromo-4-fluoroanilino)azetidine-1-carboxylate
CID 63303170
tert-butyl (3aS,8bR)-4-amino-7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxylate
CID 154734196
tert-butyl (3S,5R)-3,5-dimethyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 175627860
tert-butyl (3R)-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 156760411
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 59830093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The IUPAC name of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (CID 141048391) is tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.
What is the SMILES notation for tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The canonical SMILES for tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is CC1CN(C(=O)OC(C)(C)C)Cc2cc3ccc(F)cc3n21.
What is the InChIKey of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The InChIKey is AHCRNEMQXDZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11-9-19(16(21)22-17(2,3)4)10-14-7-12-5-6-13(18)8-15(12)20(11)14/h5-8,11H,9-10H2,1-4H3.
What are the key properties of tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 141048391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).