4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine

C15H30N2O — CID 114084416

IUPAC4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1CC1NCCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-5-13-11-18-12(2)9-17(13)10-14-15(3,4)7-6-8-16-14/h12-14,16H,5-11H2,1-4H3
InChIKeyMAYKSWKLLKZMJQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds3

About 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine

4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine (PubChem CID 114084416) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine
PubChem CID114084416
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1CC1NCCCC1(C)C
InChIInChI=1S/C15H30N2O/c1-5-13-11-18-12(2)9-17(13)10-14-15(3,4)7-6-8-16-14/h12-14,16H,5-11H2,1-4H3
InChIKeyMAYKSWKLLKZMJQ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine (CID 114084416) is 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1CC1NCCCC1(C)C.
What is the InChIKey of 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine?
The InChIKey is MAYKSWKLLKZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-13-11-18-12(2)9-17(13)10-14-15(3,4)7-6-8-16-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine?
4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylpiperidin-2-yl)methyl]-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 114084416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).