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

C12H20N2OS — CID 60722298

IUPAC[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCc1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-12-13-11(9-16-12)7-14-5-3-4-10(6-14)8-15/h9-10,15H,2-8H2,1H3
InChIKeyRRVJZOVXPPMAGU-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.91
Rot. Bonds4

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

[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 60722298) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID60722298
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCCc1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-12-13-11(9-16-12)7-14-5-3-4-10(6-14)8-15/h9-10,15H,2-8H2,1H3
InChIKeyRRVJZOVXPPMAGU-UHFFFAOYSA-N
XLogP1.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 60722298) is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is CCc1nc(CN2CCCC(CO)C2)cs1.
What is the InChIKey of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is RRVJZOVXPPMAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-12-13-11(9-16-12)7-14-5-3-4-10(6-14)8-15/h9-10,15H,2-8H2,1H3.
What are the key properties of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 240.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60722298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).