1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine

C15H21F3N2S — CID 43676666

IUPAC1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine
SMILESCCCN1CCC(Nc2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2S/c1-2-9-20-10-7-12(8-11-20)19-13-5-3-4-6-14(13)21-15(16,17)18/h3-6,12,19H,2,7-11H2,1H3
InChIKeyBIQYLDLEKQMEGU-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.58
Rot. Bonds5

About 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine

1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine (PubChem CID 43676666) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine
PubChem CID43676666
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine
SMILESCCCN1CCC(Nc2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2S/c1-2-9-20-10-7-12(8-11-20)19-13-5-3-4-6-14(13)21-15(16,17)18/h3-6,12,19H,2,7-11H2,1H3
InChIKeyBIQYLDLEKQMEGU-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine (CID 43676666) is 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine is CCCN1CCC(Nc2ccccc2SC(F)(F)F)CC1.
What is the InChIKey of 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine?
The InChIKey is BIQYLDLEKQMEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-2-9-20-10-7-12(8-11-20)19-13-5-3-4-6-14(13)21-15(16,17)18/h3-6,12,19H,2,7-11H2,1H3.
What are the key properties of 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine?
1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43676666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).