2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C66H138N12O2 — CID 158229285

IUPAC2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1C.CN1CCN2CCOCC2C1
InChIInChI=1S/C12H24N2.2C12H26N2.C11H22N2O.C11H24N2.C8H16N2O/c1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)14-8-7-13(9-11(14)3)12(4,5)6;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9-2-3-10-4-5-11-7-8(10)6-9/h11H,4-10H2,1-3H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;8H,2-7H2,1H3
InChIKeyGEEIFXAEYISKIQ-UHFFFAOYSA-N
MW1131.91 g/mol
LogP8.60
Rot. Bonds3

About 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 158229285) has the molecular formula C66H138N12O2 and a molecular weight of 1131.91 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID158229285
Molecular FormulaC66H138N12O2
Molecular Weight1131.91 g/mol
Exact Mass1131.11
IUPAC Name2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1C.CN1CCN2CCOCC2C1
InChIInChI=1S/C12H24N2.2C12H26N2.C11H22N2O.C11H24N2.C8H16N2O/c1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)14-8-7-13(9-11(14)3)12(4,5)6;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9-2-3-10-4-5-11-7-8(10)6-9/h11H,4-10H2,1-3H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;8H,2-7H2,1H3
InChIKeyGEEIFXAEYISKIQ-UHFFFAOYSA-N
XLogP8.60
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.91
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Related Compounds

2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
CID 159264409
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104830147
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 146322997
(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide;(2R)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine;(2S)-2-methyl-4-(oxetan-3-yl)-1-propan-2-ylpiperazine
CID 159793015

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 158229285) is 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1C.CN1CCN2CCOCC2C1.
What is the InChIKey of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is GEEIFXAEYISKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C12H26N2.C11H22N2O.C11H24N2.C8H16N2O/c1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)14-8-7-13(9-11(14)3)12(4,5)6;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9-2-3-10-4-5-11-7-8(10)6-9/h11H,4-10H2,1-3H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;8H,2-7H2,1H3.
What are the key properties of 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 1131.91 g/mol, XLogP of 8.60, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 158229285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).