4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole

C19H26N2O2S — CID 125187099

IUPAC4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C[C@@H]2CN(C)CC[C@@H]2OCc2csc(C)n2)cc1
InChIInChI=1S/C19H26N2O2S/c1-14-20-17(13-24-14)12-23-19-8-9-21(2)11-16(19)10-15-4-6-18(22-3)7-5-15/h4-7,13,16,19H,8-12H2,1-3H3/t16-,19+/m1/s1
InChIKeyHURMIBOMNYTVLI-APWZRJJASA-N
MW346.50 g/mol
LogP3.54
Rot. Bonds6

About 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole

4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole (PubChem CID 125187099) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
PubChem CID125187099
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(C[C@@H]2CN(C)CC[C@@H]2OCc2csc(C)n2)cc1
InChIInChI=1S/C19H26N2O2S/c1-14-20-17(13-24-14)12-23-19-8-9-21(2)11-16(19)10-15-4-6-18(22-3)7-5-15/h4-7,13,16,19H,8-12H2,1-3H3/t16-,19+/m1/s1
InChIKeyHURMIBOMNYTVLI-APWZRJJASA-N
XLogP3.54
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole 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

4-[[(3R,4S)-3-benzyl-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 155874533
1-[(3S,4R)-3-[(3-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]piperidin-1-yl]ethanone
CID 97487134
4-[[(3R,4S)-3-benzyl-1-(3-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 155874602
4-[[(3R,4R)-3-benzylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 124812608
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
4-[[(3R,4R)-3-[(4-methoxyphenyl)methyl]-1-(2-phenylethyl)piperidin-4-yl]oxymethyl]pyridine
CID 155876238
2-methyl-4-[[4-[[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]phenoxy]methyl]-1,3-thiazole
CID 98857542
2-[(3S,4R)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
CID 97477000
(3aR,6aS)-2-[(4-methoxyphenyl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124804804
(3R,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 125219086
(3S,4S)-4-(cyclopropylmethoxy)-3-[(4-methoxyphenyl)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97422846
1-[(3S,4S)-3-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethoxy)piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155843668

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole (CID 125187099) is 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole is COc1ccc(C[C@@H]2CN(C)CC[C@@H]2OCc2csc(C)n2)cc1.
What is the InChIKey of 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is HURMIBOMNYTVLI-APWZRJJASA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14-20-17(13-24-14)12-23-19-8-9-21(2)11-16(19)10-15-4-6-18(22-3)7-5-15/h4-7,13,16,19H,8-12H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole?
4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 346.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4S)-3-[(4-methoxyphenyl)methyl]-1-methylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 125187099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).