2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine

C16H28N4OS — CID 71976810

IUPAC2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine
SMILESCc1nsc(N2CCC(CCN3CC(C)OC(C)C3)CC2)n1
InChIInChI=1S/C16H28N4OS/c1-12-10-19(11-13(2)21-12)7-4-15-5-8-20(9-6-15)16-17-14(3)18-22-16/h12-13,15H,4-11H2,1-3H3
InChIKeyIAJRXAJWTBVATL-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.56
Rot. Bonds4

About 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine

2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine (PubChem CID 71976810) has the molecular formula C16H28N4OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine
PubChem CID71976810
Molecular FormulaC16H28N4OS
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine
SMILESCc1nsc(N2CCC(CCN3CC(C)OC(C)C3)CC2)n1
InChIInChI=1S/C16H28N4OS/c1-12-10-19(11-13(2)21-12)7-4-15-5-8-20(9-6-15)16-17-14(3)18-22-16/h12-13,15H,4-11H2,1-3H3
InChIKeyIAJRXAJWTBVATL-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine (CID 71976810) is 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine is Cc1nsc(N2CCC(CCN3CC(C)OC(C)C3)CC2)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine?
The InChIKey is IAJRXAJWTBVATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS/c1-12-10-19(11-13(2)21-12)7-4-15-5-8-20(9-6-15)16-17-14(3)18-22-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine?
2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine has a molecular weight of 324.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 71976810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).