1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol

C9H14N2OS — CID 59443948

IUPAC1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol
SMILESCN1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-5-2-9(12,3-6-11)8-10-4-7-13-8/h4,7,12H,2-3,5-6H2,1H3
InChIKeyDPURJPIPSRVONQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol

1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol (PubChem CID 59443948) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol
PubChem CID59443948
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol
SMILESCN1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-5-2-9(12,3-6-11)8-10-4-7-13-8/h4,7,12H,2-3,5-6H2,1H3
InChIKeyDPURJPIPSRVONQ-UHFFFAOYSA-N
XLogP1.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol?
The IUPAC name of 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol (CID 59443948) is 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol?
The canonical SMILES for 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol is CN1CCC(O)(c2nccs2)CC1.
What is the InChIKey of 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol?
The InChIKey is DPURJPIPSRVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-5-2-9(12,3-6-11)8-10-4-7-13-8/h4,7,12H,2-3,5-6H2,1H3.
What are the key properties of 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol?
1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol has a molecular weight of 198.29 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,3-thiazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 59443948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).