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

C16H27N3OS — CID 45169420

IUPAC4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine
SMILESCC(C)c1csc(CN2CCCC(N3CCOCC3)C2)n1
InChIInChI=1S/C16H27N3OS/c1-13(2)15-12-21-16(17-15)11-18-5-3-4-14(10-18)19-6-8-20-9-7-19/h12-14H,3-11H2,1-2H3
InChIKeyNRXLNIQSJPDDLI-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.56
Rot. Bonds4

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

4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 45169420) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine
PubChem CID45169420
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine
SMILESCC(C)c1csc(CN2CCCC(N3CCOCC3)C2)n1
InChIInChI=1S/C16H27N3OS/c1-13(2)15-12-21-16(17-15)11-18-5-3-4-14(10-18)19-6-8-20-9-7-19/h12-14H,3-11H2,1-2H3
InChIKeyNRXLNIQSJPDDLI-UHFFFAOYSA-N
XLogP2.56
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine (CID 45169420) is 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine is CC(C)c1csc(CN2CCCC(N3CCOCC3)C2)n1.
What is the InChIKey of 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is NRXLNIQSJPDDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13(2)15-12-21-16(17-15)11-18-5-3-4-14(10-18)19-6-8-20-9-7-19/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 309.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45169420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).