8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine

C128H271N23O6 — CID 158369730

IUPAC8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCN2CCOCC2C1.CC(C)(C)NCCN1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1C.CN(C)C1(C)CN(C(C)(C)C)C1.CN(CCN1CCOCC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C12H24N2.2C12H26N2.C11H22N2O2.2C11H22N2O.C11H24N2O.C11H24N2.C10H22N2O.C10H22N2.C9H20N2.C8H17N/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)13-6-5-12(7-8-15-4)10(14)9-13;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-11(2,3)13-5-4-12-6-7-14-9-10(12)8-13;1-11(2,3)12(4)5-6-13-7-9-14-10-8-13;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-9(2,3)12-7-10(4,8-12)11(5)6;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-6-4-5-7-9/h11H,4-10H2,1-3H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;5-9H2,1-4H3;2*10H,4-9H2,1-3H3;5-10H2,1-4H3;10H,6-9H2,1-5H3;11H,4-9H2,1-3H3;7-8H2,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyGULSEASGWYFMJV-UHFFFAOYSA-N
MW2228.73 g/mol
LogP16.43
Rot. Bonds13

About 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine

8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine (PubChem CID 158369730) has the molecular formula C128H271N23O6 and a molecular weight of 2228.73 g/mol. Its IUPAC name is 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine.

Molecular Properties

Compound Name8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine
PubChem CID158369730
Molecular FormulaC128H271N23O6
Molecular Weight2228.73 g/mol
Exact Mass2227.16
IUPAC Name8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCN2CCOCC2C1.CC(C)(C)NCCN1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1C.CN(C)C1(C)CN(C(C)(C)C)C1.CN(CCN1CCOCC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C12H24N2.2C12H26N2.C11H22N2O2.2C11H22N2O.C11H24N2O.C11H24N2.C10H22N2O.C10H22N2.C9H20N2.C8H17N/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)13-6-5-12(7-8-15-4)10(14)9-13;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-11(2,3)13-5-4-12-6-7-14-9-10(12)8-13;1-11(2,3)12(4)5-6-13-7-9-14-10-8-13;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-9(2,3)12-7-10(4,8-12)11(5)6;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-6-4-5-7-9/h11H,4-10H2,1-3H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;5-9H2,1-4H3;2*10H,4-9H2,1-3H3;5-10H2,1-4H3;10H,6-9H2,1-5H3;11H,4-9H2,1-3H3;7-8H2,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyGULSEASGWYFMJV-UHFFFAOYSA-N
XLogP16.43
TPSA146.53 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.73
LogP ≤ 516.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2,2-Dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157278878
bis(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine);7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;1-tert-butyl-4-(2-methoxyethyl)piperazine;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;methane;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N,N,2-trimethylpropan-2-amine
CID 157640570
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635
1-Tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 162218246

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine?
The IUPAC name of 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine (CID 158369730) is 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine.
What is the SMILES notation for 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine?
The canonical SMILES for 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC(C)(C)N1CCN2CCCCC2C1.CC(C)(C)N1CCN2CCOCC2C1.CC(C)(C)NCCN1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1C.CN(C)C1(C)CN(C(C)(C)C)C1.CN(CCN1CCOCC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine?
The InChIKey is GULSEASGWYFMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C12H26N2.C11H22N2O2.2C11H22N2O.C11H24N2O.C11H24N2.C10H22N2O.C10H22N2.C9H20N2.C8H17N/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)13-6-5-12(7-8-15-4)10(14)9-13;1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-11(2,3)13-5-4-12-6-7-14-9-10(12)8-13;1-11(2,3)12(4)5-6-13-7-9-14-10-8-13;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2,3)11-4-5-12-6-8-13-9-7-12;1-9(2,3)12-7-10(4,8-12)11(5)6;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-6-4-5-7-9/h11H,4-10H2,1-3H3;7-10H2,1-6H3;10-11H,7-9H2,1-6H3;5-9H2,1-4H3;2*10H,4-9H2,1-3H3;5-10H2,1-4H3;10H,6-9H2,1-5H3;11H,4-9H2,1-3H3;7-8H2,1-6H3;5-8H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine?
8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine has a molecular weight of 2228.73 g/mol, XLogP of 16.43, 13 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-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-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;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-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine is sourced from PubChem (CID 158369730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).