4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine

C17H34N2O — CID 126746252

IUPAC4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine
SMILESCC1CC(CCC(C)N2CC(C)OC(C)C2)CN(C)C1
InChIInChI=1S/C17H34N2O/c1-13-8-17(12-18(5)9-13)7-6-14(2)19-10-15(3)20-16(4)11-19/h13-17H,6-12H2,1-5H3
InChIKeyXPJGZOGVXDIJPR-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.85
Rot. Bonds4

About 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine

4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine (PubChem CID 126746252) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine
PubChem CID126746252
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine
SMILESCC1CC(CCC(C)N2CC(C)OC(C)C2)CN(C)C1
InChIInChI=1S/C17H34N2O/c1-13-8-17(12-18(5)9-13)7-6-14(2)19-10-15(3)20-16(4)11-19/h13-17H,6-12H2,1-5H3
InChIKeyXPJGZOGVXDIJPR-UHFFFAOYSA-N
XLogP2.85
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine (CID 126746252) is 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine is CC1CC(CCC(C)N2CC(C)OC(C)C2)CN(C)C1.
What is the InChIKey of 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine?
The InChIKey is XPJGZOGVXDIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-8-17(12-18(5)9-13)7-6-14(2)19-10-15(3)20-16(4)11-19/h13-17H,6-12H2,1-5H3.
What are the key properties of 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine?
4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine has a molecular weight of 282.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,5-dimethylpiperidin-3-yl)butan-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 126746252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).