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

C12H20N2OS — CID 114511212

IUPAC3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCCC1CN(Cc2csc(C)n2)CCC1O
InChIInChI=1S/C12H20N2OS/c1-3-10-6-14(5-4-12(10)15)7-11-8-16-9(2)13-11/h8,10,12,15H,3-7H2,1-2H3
InChIKeySLWMRFJISKHIOM-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.04
Rot. Bonds3

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

3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (PubChem CID 114511212) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
PubChem CID114511212
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCCC1CN(Cc2csc(C)n2)CCC1O
InChIInChI=1S/C12H20N2OS/c1-3-10-6-14(5-4-12(10)15)7-11-8-16-9(2)13-11/h8,10,12,15H,3-7H2,1-2H3
InChIKeySLWMRFJISKHIOM-UHFFFAOYSA-N
XLogP2.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]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

Related Compounds

(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 155990749
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
9-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 134073652
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 54976348
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
(3S)-N-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-sulfonamide
CID 97326138

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (CID 114511212) is 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is CCC1CN(Cc2csc(C)n2)CCC1O.
What is the InChIKey of 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is SLWMRFJISKHIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-10-6-14(5-4-12(10)15)7-11-8-16-9(2)13-11/h8,10,12,15H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 240.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114511212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).