1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol

C12H20N2OS — CID 79819374

IUPAC1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
SMILESCCCN1CCC(O)(Cc2nccs2)CC1
InChIInChI=1S/C12H20N2OS/c1-2-6-14-7-3-12(15,4-8-14)10-11-13-5-9-16-11/h5,9,15H,2-4,6-8,10H2,1H3
InChIKeyLNJYGYHEVVKXAJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds4

About 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol

1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol (PubChem CID 79819374) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
PubChem CID79819374
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
SMILESCCCN1CCC(O)(Cc2nccs2)CC1
InChIInChI=1S/C12H20N2OS/c1-2-6-14-7-3-12(15,4-8-14)10-11-13-5-9-16-11/h5,9,15H,2-4,6-8,10H2,1H3
InChIKeyLNJYGYHEVVKXAJ-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol (CID 79819374) is 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol is CCCN1CCC(O)(Cc2nccs2)CC1.
What is the InChIKey of 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
The InChIKey is LNJYGYHEVVKXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-6-14-7-3-12(15,4-8-14)10-11-13-5-9-16-11/h5,9,15H,2-4,6-8,10H2,1H3.
What are the key properties of 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol has a molecular weight of 240.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 79819374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).