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

C13H22N2OS — CID 115088116

IUPAC2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(CC2CCN(C)CC2)n1
InChIInChI=1S/C13H22N2OS/c1-10(8-16)12-9-17-13(14-12)7-11-3-5-15(2)6-4-11/h9-11,16H,3-8H2,1-2H3
InChIKeyJJEBZMBFBFQPRC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.12
Rot. Bonds4

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

2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 115088116) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
PubChem CID115088116
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
SMILESCC(CO)c1csc(CC2CCN(C)CC2)n1
InChIInChI=1S/C13H22N2OS/c1-10(8-16)12-9-17-13(14-12)7-11-3-5-15(2)6-4-11/h9-11,16H,3-8H2,1-2H3
InChIKeyJJEBZMBFBFQPRC-UHFFFAOYSA-N
XLogP2.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol (CID 115088116) is 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol is CC(CO)c1csc(CC2CCN(C)CC2)n1.
What is the InChIKey of 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is JJEBZMBFBFQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(8-16)12-9-17-13(14-12)7-11-3-5-15(2)6-4-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol?
2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 115088116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).