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

C15H18N2OS — CID 29231219

IUPAC(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H18N2OS/c18-14-7-4-8-17(10-14)9-13-11-19-15(16-13)12-5-2-1-3-6-12/h1-3,5-6,11,14,18H,4,7-10H2/t14-/m0/s1
InChIKeyZTXMAFUMHATAEG-AWEZNQCLSA-N
MW274.39 g/mol
LogP2.77
Rot. Bonds3

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

(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (PubChem CID 29231219) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
PubChem CID29231219
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H18N2OS/c18-14-7-4-8-17(10-14)9-13-11-19-15(16-13)12-5-2-1-3-6-12/h1-3,5-6,11,14,18H,4,7-10H2/t14-/m0/s1
InChIKeyZTXMAFUMHATAEG-AWEZNQCLSA-N
XLogP2.77
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (CID 29231219) is (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1.
What is the InChIKey of (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is ZTXMAFUMHATAEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-14-7-4-8-17(10-14)9-13-11-19-15(16-13)12-5-2-1-3-6-12/h1-3,5-6,11,14,18H,4,7-10H2/t14-/m0/s1.
What are the key properties of (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 274.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 29231219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).