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

C13H22N2OS — CID 114451769

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCC(C)(C)c1csc(CC2CNCCC2O)n1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)11-8-17-12(15-11)6-9-7-14-5-4-10(9)16/h8-10,14,16H,4-7H2,1-3H3
InChIKeyKSISWRXOYLGQHF-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.95
Rot. Bonds2

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

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 114451769) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
PubChem CID114451769
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCC(C)(C)c1csc(CC2CNCCC2O)n1
InChIInChI=1S/C13H22N2OS/c1-13(2,3)11-8-17-12(15-11)6-9-7-14-5-4-10(9)16/h8-10,14,16H,4-7H2,1-3H3
InChIKeyKSISWRXOYLGQHF-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (CID 114451769) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is CC(C)(C)c1csc(CC2CNCCC2O)n1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is KSISWRXOYLGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2,3)11-8-17-12(15-11)6-9-7-14-5-4-10(9)16/h8-10,14,16H,4-7H2,1-3H3.
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 254.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114451769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).