[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol

C11H18N2OS — CID 86324532

IUPAC[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
SMILESC[C@H](c1nccs1)N1CCC[C@H](CO)C1
InChIInChI=1S/C11H18N2OS/c1-9(11-12-4-6-15-11)13-5-2-3-10(7-13)8-14/h4,6,9-10,14H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyVLGMOLAFUBVKKH-ZJUUUORDSA-N
MW226.34 g/mol
LogP1.91
Rot. Bonds3

About [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol

[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol (PubChem CID 86324532) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
PubChem CID86324532
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
SMILESC[C@H](c1nccs1)N1CCC[C@H](CO)C1
InChIInChI=1S/C11H18N2OS/c1-9(11-12-4-6-15-11)13-5-2-3-10(7-13)8-14/h4,6,9-10,14H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyVLGMOLAFUBVKKH-ZJUUUORDSA-N
XLogP1.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
2-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79939420
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol (CID 86324532) is [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol is C[C@H](c1nccs1)N1CCC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol?
The InChIKey is VLGMOLAFUBVKKH-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(11-12-4-6-15-11)13-5-2-3-10(7-13)8-14/h4,6,9-10,14H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol?
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol has a molecular weight of 226.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 86324532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).