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

C14H24N2OS — CID 113343942

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)11-9-18-12(15-11)8-16-7-5-6-14(4,17)10-16/h9,17H,5-8,10H2,1-4H3
InChIKeyKOLKXLQJGDJJHD-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.79
Rot. Bonds2

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol (PubChem CID 113343942) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
PubChem CID113343942
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)11-9-18-12(15-11)8-16-7-5-6-14(4,17)10-16/h9,17H,5-8,10H2,1-4H3
InChIKeyKOLKXLQJGDJJHD-UHFFFAOYSA-N
XLogP2.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol (CID 113343942) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is KOLKXLQJGDJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2,3)11-9-18-12(15-11)8-16-7-5-6-14(4,17)10-16/h9,17H,5-8,10H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 268.43 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 113343942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).