5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

C14H25F3N2S — CID 116627533

IUPAC5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-10(2)12-8-18-13(3,11-4-5-11)9-19(12)6-7-20-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyPPDGGIJGJFNFHW-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.34
Rot. Bonds5

About 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine

5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (PubChem CID 116627533) has the molecular formula C14H25F3N2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
PubChem CID116627533
Molecular FormulaC14H25F3N2S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC Name5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-10(2)12-8-18-13(3,11-4-5-11)9-19(12)6-7-20-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyPPDGGIJGJFNFHW-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine (CID 116627533) is 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is CC(C)C1CNC(C)(C2CC2)CN1CCSC(F)(F)F.
What is the InChIKey of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
The InChIKey is PPDGGIJGJFNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2S/c1-10(2)12-8-18-13(3,11-4-5-11)9-19(12)6-7-20-14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine?
5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine has a molecular weight of 310.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine is sourced from PubChem (CID 116627533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).