(2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)

C134H270N16O15 — CID 159285104

IUPAC(2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)
SMILESCC(C)(C)N1CCN(C[C@@H]2CN(C(C)(C)C)CCO2)CC1.CC(C)(C)N1CCN(C[C@H]2CN(C(C)(C)C)CCO2)CC1.CC(C)N(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.CC(C)N(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1
InChIInChI=1S/3C20H40N2O3.2C20H40N2O2.2C17H35N3O/c3*1-19(2,3)22-9-11-24-18(15-22)14-21(8-10-23-7)16-12-17(13-16)25-20(4,5)6;2*1-15(2)22(16-11-17(12-16)24-20(6,7)8)14-18-13-21(9-10-23-18)19(3,4)5;2*1-16(2,3)19-9-7-18(8-10-19)13-15-14-20(11-12-21-15)17(4,5)6/h3*16-18H,8-15H2,1-7H3;2*15-18H,9-14H2,1-8H3;2*15H,7-14H2,1-6H3/t5*16?,17?,18-;2*15-/m1001110/s1
InChIKeyKZKITAOEAOFCOX-NKNUEOBDSA-N
MW2345.73 g/mol
LogP19.23
Rot. Bonds35

About (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)

(2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) (PubChem CID 159285104) has the molecular formula C134H270N16O15 and a molecular weight of 2345.73 g/mol. Its IUPAC name is (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine).

Molecular Properties

Compound Name(2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)
PubChem CID159285104
Molecular FormulaC134H270N16O15
Molecular Weight2345.73 g/mol
Exact Mass2344.09
IUPAC Name(2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)
SMILESCC(C)(C)N1CCN(C[C@@H]2CN(C(C)(C)C)CCO2)CC1.CC(C)(C)N1CCN(C[C@H]2CN(C(C)(C)C)CCO2)CC1.CC(C)N(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.CC(C)N(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1
InChIInChI=1S/3C20H40N2O3.2C20H40N2O2.2C17H35N3O/c3*1-19(2,3)22-9-11-24-18(15-22)14-21(8-10-23-7)16-12-17(13-16)25-20(4,5)6;2*1-15(2)22(16-11-17(12-16)24-20(6,7)8)14-18-13-21(9-10-23-18)19(3,4)5;2*1-16(2,3)19-9-7-18(8-10-19)13-15-14-20(11-12-21-15)17(4,5)6/h3*16-18H,8-15H2,1-7H3;2*15-18H,9-14H2,1-8H3;2*15H,7-14H2,1-6H3/t5*16?,17?,18-;2*15-/m1001110/s1
InChIKeyKZKITAOEAOFCOX-NKNUEOBDSA-N
XLogP19.23
TPSA190.29 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.73
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
The IUPAC name of (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) (CID 159285104) is (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine).
What is the SMILES notation for (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
The canonical SMILES for (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) is CC(C)(C)N1CCN(C[C@@H]2CN(C(C)(C)C)CCO2)CC1.CC(C)(C)N1CCN(C[C@H]2CN(C(C)(C)C)CCO2)CC1.CC(C)N(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.CC(C)N(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.COCCN(C[C@H]1CN(C(C)(C)C)CCO1)C1CC(OC(C)(C)C)C1.
What is the InChIKey of (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
The InChIKey is KZKITAOEAOFCOX-NKNUEOBDSA-N. The full InChI is InChI=1S/3C20H40N2O3.2C20H40N2O2.2C17H35N3O/c3*1-19(2,3)22-9-11-24-18(15-22)14-21(8-10-23-7)16-12-17(13-16)25-20(4,5)6;2*1-15(2)22(16-11-17(12-16)24-20(6,7)8)14-18-13-21(9-10-23-18)19(3,4)5;2*1-16(2,3)19-9-7-18(8-10-19)13-15-14-20(11-12-21-15)17(4,5)6/h3*16-18H,8-15H2,1-7H3;2*15-18H,9-14H2,1-8H3;2*15H,7-14H2,1-6H3/t5*16?,17?,18-;2*15-/m1001110/s1.
What are the key properties of (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
(2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) has a molecular weight of 2345.73 g/mol, XLogP of 19.23, 35 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;(2S)-4-tert-butyl-2-[(4-tert-butylpiperazin-1-yl)methyl]morpholine;N-[[(2R)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine);bis(N-[[(2S)-4-tert-butylmorpholin-2-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) is sourced from PubChem (CID 159285104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).