4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

C10H19F3N2O2S — CID 119052625

IUPAC4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCC1(N)CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c1-9(14)4-6-15(7-5-9)18(16,17)8-2-3-10(11,12)13/h2-8,14H2,1H3
InChIKeyGNJFXIIYHRLMHV-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.47
Rot. Bonds4

About 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (PubChem CID 119052625) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
PubChem CID119052625
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCC1(N)CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O2S/c1-9(14)4-6-15(7-5-9)18(16,17)8-2-3-10(11,12)13/h2-8,14H2,1H3
InChIKeyGNJFXIIYHRLMHV-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The IUPAC name of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (CID 119052625) is 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The canonical SMILES for 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is CC1(N)CCN(S(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The InChIKey is GNJFXIIYHRLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-9(14)4-6-15(7-5-9)18(16,17)8-2-3-10(11,12)13/h2-8,14H2,1H3.
What are the key properties of 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine has a molecular weight of 288.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 119052625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).