2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol

C15H26N2OS — CID 55064666

IUPAC2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCC(C)(C)c1nc(CN2CCCC(CCO)C2)cs1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)14-16-13(11-19-14)10-17-7-4-5-12(9-17)6-8-18/h11-12,18H,4-10H2,1-3H3
InChIKeyVWDMLOBKGZBLIB-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.04
Rot. Bonds4

About 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 55064666) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID55064666
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCC(C)(C)c1nc(CN2CCCC(CCO)C2)cs1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)14-16-13(11-19-14)10-17-7-4-5-12(9-17)6-8-18/h11-12,18H,4-10H2,1-3H3
InChIKeyVWDMLOBKGZBLIB-UHFFFAOYSA-N
XLogP3.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 55064666) is 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol is CC(C)(C)c1nc(CN2CCCC(CCO)C2)cs1.
What is the InChIKey of 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is VWDMLOBKGZBLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)14-16-13(11-19-14)10-17-7-4-5-12(9-17)6-8-18/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 282.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 55064666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).