4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine

C26H52N4O2 — CID 146177469

IUPAC4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine
SMILESCC1COC(CC(C)(C)N2CCOC(CC(C)(C)N3CCN(C)CC3)C2)CN1C(C)(C)C
InChIInChI=1S/C26H52N4O2/c1-21-20-32-23(19-30(21)24(2,3)4)17-26(7,8)29-14-15-31-22(18-29)16-25(5,6)28-12-10-27(9)11-13-28/h21-23H,10-20H2,1-9H3
InChIKeyXTSITFVWWLBGNK-UHFFFAOYSA-N
MW452.73 g/mol
LogP3.16
Rot. Bonds6

About 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine

4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine (PubChem CID 146177469) has the molecular formula C26H52N4O2 and a molecular weight of 452.73 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine
PubChem CID146177469
Molecular FormulaC26H52N4O2
Molecular Weight452.73 g/mol
Exact Mass452.41
IUPAC Name4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine
SMILESCC1COC(CC(C)(C)N2CCOC(CC(C)(C)N3CCN(C)CC3)C2)CN1C(C)(C)C
InChIInChI=1S/C26H52N4O2/c1-21-20-32-23(19-30(21)24(2,3)4)17-26(7,8)29-14-15-31-22(18-29)16-25(5,6)28-12-10-27(9)11-13-28/h21-23H,10-20H2,1-9H3
InChIKeyXTSITFVWWLBGNK-UHFFFAOYSA-N
XLogP3.16
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine?
The IUPAC name of 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine (CID 146177469) is 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine.
What is the SMILES notation for 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine?
The canonical SMILES for 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine is CC1COC(CC(C)(C)N2CCOC(CC(C)(C)N3CCN(C)CC3)C2)CN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine?
The InChIKey is XTSITFVWWLBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O2/c1-21-20-32-23(19-30(21)24(2,3)4)17-26(7,8)29-14-15-31-22(18-29)16-25(5,6)28-12-10-27(9)11-13-28/h21-23H,10-20H2,1-9H3.
What are the key properties of 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine?
4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine has a molecular weight of 452.73 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-2-[2-methyl-2-[2-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]morpholin-4-yl]propyl]morpholine is sourced from PubChem (CID 146177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).