4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine

C21H42N2O — CID 129035483

IUPAC4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine
SMILESCC(C)(C)N1C(C)(C)CCCC1(C)CCC(C)(C)N1CCOCC1
InChIInChI=1S/C21H42N2O/c1-18(2,3)23-20(6,7)10-9-11-21(23,8)13-12-19(4,5)22-14-16-24-17-15-22/h9-17H2,1-8H3
InChIKeyFVBIXGVBJAQETR-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.70
Rot. Bonds4

About 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine

4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine (PubChem CID 129035483) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine
PubChem CID129035483
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine
SMILESCC(C)(C)N1C(C)(C)CCCC1(C)CCC(C)(C)N1CCOCC1
InChIInChI=1S/C21H42N2O/c1-18(2,3)23-20(6,7)10-9-11-21(23,8)13-12-19(4,5)22-14-16-24-17-15-22/h9-17H2,1-8H3
InChIKeyFVBIXGVBJAQETR-UHFFFAOYSA-N
XLogP4.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine?
The IUPAC name of 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine (CID 129035483) is 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine?
The canonical SMILES for 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine is CC(C)(C)N1C(C)(C)CCCC1(C)CCC(C)(C)N1CCOCC1.
What is the InChIKey of 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine?
The InChIKey is FVBIXGVBJAQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-18(2,3)23-20(6,7)10-9-11-21(23,8)13-12-19(4,5)22-14-16-24-17-15-22/h9-17H2,1-8H3.
What are the key properties of 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine?
4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine has a molecular weight of 338.58 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-tert-butyl-2,6,6-trimethylpiperidin-2-yl)-2-methylbutan-2-yl]morpholine is sourced from PubChem (CID 129035483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).