4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine

C13H21N3OS — CID 45236744

IUPAC4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
SMILESc1csc(CN2CCCC(N3CCOCC3)C2)n1
InChIInChI=1S/C13H21N3OS/c1-2-12(16-5-7-17-8-6-16)10-15(4-1)11-13-14-3-9-18-13/h3,9,12H,1-2,4-8,10-11H2
InChIKeyZEGJZCUPJXZHEM-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.44
Rot. Bonds3

About 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine

4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine (PubChem CID 45236744) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
PubChem CID45236744
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
SMILESc1csc(CN2CCCC(N3CCOCC3)C2)n1
InChIInChI=1S/C13H21N3OS/c1-2-12(16-5-7-17-8-6-16)10-15(4-1)11-13-14-3-9-18-13/h3,9,12H,1-2,4-8,10-11H2
InChIKeyZEGJZCUPJXZHEM-UHFFFAOYSA-N
XLogP1.44
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine (CID 45236744) is 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine is c1csc(CN2CCCC(N3CCOCC3)C2)n1.
What is the InChIKey of 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine?
The InChIKey is ZEGJZCUPJXZHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-12(16-5-7-17-8-6-16)10-15(4-1)11-13-14-3-9-18-13/h3,9,12H,1-2,4-8,10-11H2.
What are the key properties of 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine?
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine has a molecular weight of 267.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine is sourced from PubChem (CID 45236744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).