1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol

C14H21NO2S — CID 82487384

IUPAC1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol
SMILESCSc1ccc(C(O)CN2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO2S/c1-18-13-4-2-11(3-5-13)14(17)10-15-8-6-12(16)7-9-15/h2-5,12,14,16-17H,6-10H2,1H3
InChIKeyPYHJFZWUYQRUGP-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol

1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol (PubChem CID 82487384) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol
PubChem CID82487384
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol
SMILESCSc1ccc(C(O)CN2CCC(O)CC2)cc1
InChIInChI=1S/C14H21NO2S/c1-18-13-4-2-11(3-5-13)14(17)10-15-8-6-12(16)7-9-15/h2-5,12,14,16-17H,6-10H2,1H3
InChIKeyPYHJFZWUYQRUGP-UHFFFAOYSA-N
XLogP1.90
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 133108528
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82074348
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(4-methylsulfanylphenyl)propan-1-ol
CID 55269333
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
1-[2-(2-aminophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 62265241
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82264442
4-[1-hydroxy-2-(4-propan-2-ylpiperidin-1-yl)ethyl]benzenecarbothioamide
CID 103495780
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol (CID 82487384) is 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol is CSc1ccc(C(O)CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol?
The InChIKey is PYHJFZWUYQRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-18-13-4-2-11(3-5-13)14(17)10-15-8-6-12(16)7-9-15/h2-5,12,14,16-17H,6-10H2,1H3.
What are the key properties of 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol?
1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol has a molecular weight of 267.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82487384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).