[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol

C20H27N3O2S — CID 25479565

IUPAC[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESCSc1ncc(CN2CCC[C@](CO)(CCOc3ccccc3)C2)cn1
InChIInChI=1S/C20H27N3O2S/c1-26-19-21-12-17(13-22-19)14-23-10-5-8-20(15-23,16-24)9-11-25-18-6-3-2-4-7-18/h2-4,6-7,12-13,24H,5,8-11,14-16H2,1H3/t20-/m0/s1
InChIKeySUOAMMUHPQAMLX-FQEVSTJZSA-N
MW373.52 g/mol
LogP3.24
Rot. Bonds8

About [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol

[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol (PubChem CID 25479565) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
PubChem CID25479565
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESCSc1ncc(CN2CCC[C@](CO)(CCOc3ccccc3)C2)cn1
InChIInChI=1S/C20H27N3O2S/c1-26-19-21-12-17(13-22-19)14-23-10-5-8-20(15-23,16-24)9-11-25-18-6-3-2-4-7-18/h2-4,6-7,12-13,24H,5,8-11,14-16H2,1H3/t20-/m0/s1
InChIKeySUOAMMUHPQAMLX-FQEVSTJZSA-N
XLogP3.24
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 45230798
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398
[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479616
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42591222
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42565161
[(3R)-3-(3-methoxypropyl)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methanol
CID 97150707
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
[3-(2-methoxyethyl)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]methanol
CID 72871796

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol (CID 25479565) is [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol is CSc1ncc(CN2CCC[C@](CO)(CCOc3ccccc3)C2)cn1.
What is the InChIKey of [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The InChIKey is SUOAMMUHPQAMLX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-26-19-21-12-17(13-22-19)14-23-10-5-8-20(15-23,16-24)9-11-25-18-6-3-2-4-7-18/h2-4,6-7,12-13,24H,5,8-11,14-16H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol has a molecular weight of 373.52 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25479565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).