[4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine

C11H21F3N2S — CID 113326280

IUPAC[4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-17-10(9-15)4-7-16(8-5-10)6-2-3-11(12,13)14/h2-9,15H2,1H3
InChIKeyKURWRBOTTKVDLG-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.49
Rot. Bonds5

About [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine

[4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine (PubChem CID 113326280) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine
PubChem CID113326280
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC Name[4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-17-10(9-15)4-7-16(8-5-10)6-2-3-11(12,13)14/h2-9,15H2,1H3
InChIKeyKURWRBOTTKVDLG-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine (CID 113326280) is [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine is CSC1(CN)CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
The InChIKey is KURWRBOTTKVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-17-10(9-15)4-7-16(8-5-10)6-2-3-11(12,13)14/h2-9,15H2,1H3.
What are the key properties of [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine?
[4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfanyl-1-(4,4,4-trifluorobutyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 113326280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).