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

C12H20N2OS — CID 62357168

IUPAC2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCc1nc(CN2CCCC(CCO)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-10-13-12(9-16-10)8-14-5-2-3-11(7-14)4-6-15/h9,11,15H,2-8H2,1H3
InChIKeyUNPDDPPYYDBOCI-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds4

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

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 62357168) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID62357168
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCc1nc(CN2CCCC(CCO)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-10-13-12(9-16-10)8-14-5-2-3-11(7-14)4-6-15/h9,11,15H,2-8H2,1H3
InChIKeyUNPDDPPYYDBOCI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 62357168) is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol is Cc1nc(CN2CCCC(CCO)C2)cs1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is UNPDDPPYYDBOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-13-12(9-16-10)8-14-5-2-3-11(7-14)4-6-15/h9,11,15H,2-8H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 62357168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).