1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine

C14H18F3NOS — CID 18722973

IUPAC1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(SCC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NOS/c1-18-8-6-12(7-9-18)19-11-2-4-13(5-3-11)20-10-14(15,16)17/h2-5,12H,6-10H2,1H3
InChIKeyFBYCXKVPNLARAV-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.81
Rot. Bonds4

About 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine

1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine (PubChem CID 18722973) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine
PubChem CID18722973
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(SCC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NOS/c1-18-8-6-12(7-9-18)19-11-2-4-13(5-3-11)20-10-14(15,16)17/h2-5,12H,6-10H2,1H3
InChIKeyFBYCXKVPNLARAV-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine?
The IUPAC name of 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine (CID 18722973) is 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine is CN1CCC(Oc2ccc(SCC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine?
The InChIKey is FBYCXKVPNLARAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-18-8-6-12(7-9-18)19-11-2-4-13(5-3-11)20-10-14(15,16)17/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine?
1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine has a molecular weight of 305.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2,2,2-trifluoroethylsulfanyl)phenoxy]piperidine is sourced from PubChem (CID 18722973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).