8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine

C110H174N12O11 — CID 157380360

IUPAC8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2ccc(C(C)(C)C)cc2)CCO1.COc1cc(C(C)(C)C)ccc1N1CCN(C(C)=O)CC1.COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)C(C)(C)C1.COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)CC1.COc1cc(C(C)(C)C)ccc1N1CCN(CCOC2CC2)CC1.COc1cc(C(C)(C)C)ccc1N1CCN2CCOCC2C1
InChIInChI=1S/2C20H32N2O2.2C18H28N2O2.C17H26N2O2.C17H28N2O/c1-19(2,3)15-7-8-17(18(11-15)23-6)21-9-10-22(16-12-24-13-16)20(4,5)14-21;1-20(2,3)16-5-8-18(19(15-16)23-4)22-11-9-21(10-12-22)13-14-24-17-6-7-17;1-18(2,3)14-5-6-16(17(11-14)21-4)20-9-7-19(8-10-20)15-12-22-13-15;1-18(2,3)14-5-6-16(17(11-14)21-4)20-8-7-19-9-10-22-13-15(19)12-20;1-13(20)18-8-10-19(11-9-18)15-7-6-14(17(2,3)4)12-16(15)21-5;1-17(2,3)14-6-8-15(9-7-14)19-10-11-20-16(13-19)12-18(4)5/h7-8,11,16H,9-10,12-14H2,1-6H3;5,8,15,17H,6-7,9-14H2,1-4H3;2*5-6,11,15H,7-10,12-13H2,1-4H3;6-7,12H,8-11H2,1-5H3;6-9,16H,10-13H2,1-5H3
InChIKeyBKUQONLKDZQPBY-UHFFFAOYSA-N
MW1840.67 g/mol
LogP17.02
Rot. Bonds19

About 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine

8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 157380360) has the molecular formula C110H174N12O11 and a molecular weight of 1840.67 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID157380360
Molecular FormulaC110H174N12O11
Molecular Weight1840.67 g/mol
Exact Mass1839.34
IUPAC Name8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2ccc(C(C)(C)C)cc2)CCO1.COc1cc(C(C)(C)C)ccc1N1CCN(C(C)=O)CC1.COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)C(C)(C)C1.COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)CC1.COc1cc(C(C)(C)C)ccc1N1CCN(CCOC2CC2)CC1.COc1cc(C(C)(C)C)ccc1N1CCN2CCOCC2C1
InChIInChI=1S/2C20H32N2O2.2C18H28N2O2.C17H26N2O2.C17H28N2O/c1-19(2,3)15-7-8-17(18(11-15)23-6)21-9-10-22(16-12-24-13-16)20(4,5)14-21;1-20(2,3)16-5-8-18(19(15-16)23-4)22-11-9-21(10-12-22)13-14-24-17-6-7-17;1-18(2,3)14-5-6-16(17(11-14)21-4)20-9-7-19(8-10-20)15-12-22-13-15;1-18(2,3)14-5-6-16(17(11-14)21-4)20-8-7-19-9-10-22-13-15(19)12-20;1-13(20)18-8-10-19(11-9-18)15-7-6-14(17(2,3)4)12-16(15)21-5;1-17(2,3)14-6-8-15(9-7-14)19-10-11-20-16(13-19)12-18(4)5/h7-8,11,16H,9-10,12-14H2,1-6H3;5,8,15,17H,6-7,9-14H2,1-4H3;2*5-6,11,15H,7-10,12-13H2,1-4H3;6-7,12H,8-11H2,1-5H3;6-9,16H,10-13H2,1-5H3
InChIKeyBKUQONLKDZQPBY-UHFFFAOYSA-N
XLogP17.02
TPSA148.25 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001840.67
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine (CID 157380360) is 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(c2ccc(C(C)(C)C)cc2)CCO1.COc1cc(C(C)(C)C)ccc1N1CCN(C(C)=O)CC1.COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)C(C)(C)C1.COc1cc(C(C)(C)C)ccc1N1CCN(C2COC2)CC1.COc1cc(C(C)(C)C)ccc1N1CCN(CCOC2CC2)CC1.COc1cc(C(C)(C)C)ccc1N1CCN2CCOCC2C1.
What is the InChIKey of 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is BKUQONLKDZQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H32N2O2.2C18H28N2O2.C17H26N2O2.C17H28N2O/c1-19(2,3)15-7-8-17(18(11-15)23-6)21-9-10-22(16-12-24-13-16)20(4,5)14-21;1-20(2,3)16-5-8-18(19(15-16)23-4)22-11-9-21(10-12-22)13-14-24-17-6-7-17;1-18(2,3)14-5-6-16(17(11-14)21-4)20-9-7-19(8-10-20)15-12-22-13-15;1-18(2,3)14-5-6-16(17(11-14)21-4)20-8-7-19-9-10-22-13-15(19)12-20;1-13(20)18-8-10-19(11-9-18)15-7-6-14(17(2,3)4)12-16(15)21-5;1-17(2,3)14-6-8-15(9-7-14)19-10-11-20-16(13-19)12-18(4)5/h7-8,11,16H,9-10,12-14H2,1-6H3;5,8,15,17H,6-7,9-14H2,1-4H3;2*5-6,11,15H,7-10,12-13H2,1-4H3;6-7,12H,8-11H2,1-5H3;6-9,16H,10-13H2,1-5H3.
What are the key properties of 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 1840.67 g/mol, XLogP of 17.02, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butyl-2-methoxyphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(2-cyclopropyloxyethyl)piperazine;4-(4-tert-butyl-2-methoxyphenyl)-2,2-dimethyl-1-(oxetan-3-yl)piperazine;1-(4-tert-butyl-2-methoxyphenyl)-4-(oxetan-3-yl)piperazine;1-[4-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-tert-butylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 157380360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).