4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine

C20H40N2O — CID 129146194

IUPAC4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)C(C)CN1CCCC(CC(C)(C)CN2CCOCC2)C1
InChIInChI=1S/C20H40N2O/c1-17(2)18(3)14-22-8-6-7-19(15-22)13-20(4,5)16-21-9-11-23-12-10-21/h17-19H,6-16H2,1-5H3
InChIKeySIXFHEHSUHVXLG-UHFFFAOYSA-N
MW324.55 g/mol
LogP3.74
Rot. Bonds7

About 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine

4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine (PubChem CID 129146194) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine
PubChem CID129146194
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine
SMILESCC(C)C(C)CN1CCCC(CC(C)(C)CN2CCOCC2)C1
InChIInChI=1S/C20H40N2O/c1-17(2)18(3)14-22-8-6-7-19(15-22)13-20(4,5)16-21-9-11-23-12-10-21/h17-19H,6-16H2,1-5H3
InChIKeySIXFHEHSUHVXLG-UHFFFAOYSA-N
XLogP3.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine?
The IUPAC name of 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine (CID 129146194) is 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine.
What is the SMILES notation for 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine?
The canonical SMILES for 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine is CC(C)C(C)CN1CCCC(CC(C)(C)CN2CCOCC2)C1.
What is the InChIKey of 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine?
The InChIKey is SIXFHEHSUHVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-17(2)18(3)14-22-8-6-7-19(15-22)13-20(4,5)16-21-9-11-23-12-10-21/h17-19H,6-16H2,1-5H3.
What are the key properties of 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine?
4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine has a molecular weight of 324.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2,3-dimethylbutyl)piperidin-3-yl]-2,2-dimethylpropyl]morpholine is sourced from PubChem (CID 129146194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).