[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

C19H26N2OS — CID 26405340

IUPAC[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCc1ncc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)s1
InChIInChI=1S/C19H26N2OS/c1-16-20-12-18(23-16)13-21-11-5-9-19(14-21,15-22)10-8-17-6-3-2-4-7-17/h2-4,6-7,12,22H,5,8-11,13-15H2,1H3/t19-/m1/s1
InChIKeyOIXCFDGFZBTFCZ-LJQANCHMSA-N
MW330.50 g/mol
LogP3.66
Rot. Bonds6

About [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 26405340) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID26405340
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCc1ncc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)s1
InChIInChI=1S/C19H26N2OS/c1-16-20-12-18(23-16)13-21-11-5-9-19(14-21,15-22)10-8-17-6-3-2-4-7-17/h2-4,6-7,12,22H,5,8-11,13-15H2,1H3/t19-/m1/s1
InChIKeyOIXCFDGFZBTFCZ-LJQANCHMSA-N
XLogP3.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42244523
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
ethyl 3-benzyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 45200747
[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25449478
[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42197449
[1-[(1-methylimidazol-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol
CID 45203607
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
4-[4-[[3-(hydroxymethyl)-3-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45175998
[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25306756
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26404101
ethyl (3R)-3-[(2-methylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 28732748

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 26405340) is [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is Cc1ncc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)s1.
What is the InChIKey of [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is OIXCFDGFZBTFCZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-16-20-12-18(23-16)13-21-11-5-9-19(14-21,15-22)10-8-17-6-3-2-4-7-17/h2-4,6-7,12,22H,5,8-11,13-15H2,1H3/t19-/m1/s1.
What are the key properties of [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 330.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 26405340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).