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

C11H18N2OS — CID 60645026

IUPAC[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCc1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-12-11(8-15-9)6-13-4-2-3-10(5-13)7-14/h8,10,14H,2-7H2,1H3
InChIKeyLIGMYNYTUFEXLD-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.66
Rot. Bonds3

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

[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 60645026) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID60645026
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCc1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C11H18N2OS/c1-9-12-11(8-15-9)6-13-4-2-3-10(5-13)7-14/h8,10,14H,2-7H2,1H3
InChIKeyLIGMYNYTUFEXLD-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 60645026) is [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is Cc1nc(CN2CCCC(CO)C2)cs1.
What is the InChIKey of [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is LIGMYNYTUFEXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-12-11(8-15-9)6-13-4-2-3-10(5-13)7-14/h8,10,14H,2-7H2,1H3.
What are the key properties of [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 226.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60645026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).