1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol

C10H18F3NOS — CID 104891391

IUPAC1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-8(15)9-2-4-14(5-3-9)6-7-16-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyJMXLCHHUAXYAHE-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol

1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol (PubChem CID 104891391) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol
PubChem CID104891391
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NOS/c1-8(15)9-2-4-14(5-3-9)6-7-16-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyJMXLCHHUAXYAHE-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-ol
CID 67400457
1-(1-Ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 89584678
2,2,2-Trifluoro-1-(1-propylpiperidin-4-yl)ethanol
CID 112326754
Ethane;1-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 144326101
Ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol
CID 144326292
1-[1-(Trifluoromethyl)piperidin-4-yl]ethanol
CID 167323639
2,2-Difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol
CID 174917111
5-[4-(Trifluoromethyl)piperidin-1-yl]pentan-2-ol
CID 65531370
4-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-ol
CID 102959740
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethanol
CID 103657057
6-[4-(Trifluoromethyl)piperidin-1-yl]hexan-3-ol
CID 106802445
1-[1-(4,4,4-Trifluorobutyl)piperidin-4-yl]ethanol
CID 106837465

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol (CID 104891391) is 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CCSC(F)(F)F)CC1.
What is the InChIKey of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol?
The InChIKey is JMXLCHHUAXYAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-8(15)9-2-4-14(5-3-9)6-7-16-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol?
1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol has a molecular weight of 257.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 104891391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).