2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine

C15H30N2O — CID 118673804

IUPAC2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine
SMILES[3H]N1CC(C)OC(CCN2CC(C)CC(CC)C2)C1
InChIInChI=1S/C15H30N2O/c1-4-14-7-12(2)10-17(11-14)6-5-15-9-16-8-13(3)18-15/h12-16H,4-11H2,1-3H3/i/hT
InChIKeyQXUHDKLPTARDJO-MNYXATJNSA-N
MW256.43 g/mol
LogP2.12
Rot. Bonds4

About 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine

2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine (PubChem CID 118673804) has the molecular formula C15H30N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine.

Molecular Properties

Compound Name2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine
PubChem CID118673804
Molecular FormulaC15H30N2O
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine
SMILES[3H]N1CC(C)OC(CCN2CC(C)CC(CC)C2)C1
InChIInChI=1S/C15H30N2O/c1-4-14-7-12(2)10-17(11-14)6-5-15-9-16-8-13(3)18-15/h12-16H,4-11H2,1-3H3/i/hT
InChIKeyQXUHDKLPTARDJO-MNYXATJNSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?
The IUPAC name of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine (CID 118673804) is 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine.
What is the SMILES notation for 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?
The canonical SMILES for 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine is [3H]N1CC(C)OC(CCN2CC(C)CC(CC)C2)C1.
What is the InChIKey of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?
The InChIKey is QXUHDKLPTARDJO-MNYXATJNSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-14-7-12(2)10-17(11-14)6-5-15-9-16-8-13(3)18-15/h12-16H,4-11H2,1-3H3/i/hT.
What are the key properties of 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine?
2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine has a molecular weight of 256.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-5-methylpiperidin-1-yl)ethyl]-6-methyl-4-tritiomorpholine is sourced from PubChem (CID 118673804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).