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

C10H16F3NO2S — CID 116616826

IUPAC2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)17-6-5-14-3-1-8(2-4-14)7-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyGKPNKKLLJYACJF-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.43
Rot. Bonds5

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

2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 116616826) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
PubChem CID116616826
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CCSC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)17-6-5-14-3-1-8(2-4-14)7-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyGKPNKKLLJYACJF-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681
2-[1-(3,3-difluorobutyl)piperidin-4-yl]acetic acid
CID 84698559
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616921
2-[1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 106431600
1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]pyrrole-2-carboxylic acid
CID 116616780
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 116616919
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
CID 89058382
CID 89058382
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid (CID 116616826) is 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CCSC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is GKPNKKLLJYACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c11-10(12,13)17-6-5-14-3-1-8(2-4-14)7-9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 271.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 116616826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).