N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H21F3N2S — CID 63983391

IUPACN-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-17-8-2-5-15-10-3-6-16(7-4-10)9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyMUYBBRJFMDKUSO-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.36
Rot. Bonds6

About N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63983391) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63983391
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCSCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2S/c1-17-8-2-5-15-10-3-6-16(7-4-10)9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyMUYBBRJFMDKUSO-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.36
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-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63983391) is N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CSCCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is MUYBBRJFMDKUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-17-8-2-5-15-10-3-6-16(7-4-10)9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63983391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).