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

C13H22N2OS — CID 114511001

IUPAC3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
SMILESCCC1CN(CCc2scnc2C)CCC1O
InChIInChI=1S/C13H22N2OS/c1-3-11-8-15(6-4-12(11)16)7-5-13-10(2)14-9-17-13/h9,11-12,16H,3-8H2,1-2H3
InChIKeyUEABUTHNNQOWND-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.09
Rot. Bonds4

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

3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol (PubChem CID 114511001) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
PubChem CID114511001
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol
SMILESCCC1CN(CCc2scnc2C)CCC1O
InChIInChI=1S/C13H22N2OS/c1-3-11-8-15(6-4-12(11)16)7-5-13-10(2)14-9-17-13/h9,11-12,16H,3-8H2,1-2H3
InChIKeyUEABUTHNNQOWND-UHFFFAOYSA-N
XLogP2.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112628398
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentan-1-ol
CID 79424345
tert-butyl 4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxylate
CID 104928470
(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 166616622
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 97318181
1-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 81490775
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
CID 114511165
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
[6-methyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]morpholin-2-yl]methanol
CID 102935724
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113251758
2-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339519
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol (CID 114511001) is 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol is CCC1CN(CCc2scnc2C)CCC1O.
What is the InChIKey of 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is UEABUTHNNQOWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-8-15(6-4-12(11)16)7-5-13-10(2)14-9-17-13/h9,11-12,16H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol?
3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 254.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 114511001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).