1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol

C17H23N3OS — CID 75470690

IUPAC1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol
SMILESCN(C)c1nc(-c2ccccc2)c(CN2CCC(O)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-19(2)17-18-16(13-6-4-3-5-7-13)15(22-17)12-20-10-8-14(21)9-11-20/h3-7,14,21H,8-12H2,1-2H3
InChIKeyWROUWRDPTVSLNR-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.83
Rot. Bonds4

About 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol

1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol (PubChem CID 75470690) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol
PubChem CID75470690
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol
SMILESCN(C)c1nc(-c2ccccc2)c(CN2CCC(O)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-19(2)17-18-16(13-6-4-3-5-7-13)15(22-17)12-20-10-8-14(21)9-11-20/h3-7,14,21H,8-12H2,1-2H3
InChIKeyWROUWRDPTVSLNR-UHFFFAOYSA-N
XLogP2.83
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol (CID 75470690) is 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol is CN(C)c1nc(-c2ccccc2)c(CN2CCC(O)CC2)s1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is WROUWRDPTVSLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-19(2)17-18-16(13-6-4-3-5-7-13)15(22-17)12-20-10-8-14(21)9-11-20/h3-7,14,21H,8-12H2,1-2H3.
What are the key properties of 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol?
1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 317.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 75470690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).