N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C10H19F3N2S — CID 63980758

IUPACN-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2S/c1-16-7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyOCWBLAVXZJBJQW-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.97
Rot. Bonds5

About N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63980758) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63980758
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC NameN-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2S/c1-16-7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyOCWBLAVXZJBJQW-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63980758) is N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CSCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is OCWBLAVXZJBJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-16-7-4-14-9-2-5-15(6-3-9)8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 256.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63980758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).