N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C13H19F3N2O2S — CID 68631557

IUPACN,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2cccs2)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2S.C2HF3O2/c1-13(2)11(5-7-12-8-6-11)10-4-3-9-14-10;3-2(4,5)1(6)7/h3-4,9,12H,5-8H2,1-2H3;(H,6,7)
InChIKeyVYFGXPJVUSTGGP-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.52
Rot. Bonds2

About N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid

N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 68631557) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID68631557
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2cccs2)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2S.C2HF3O2/c1-13(2)11(5-7-12-8-6-11)10-4-3-9-14-10;3-2(4,5)1(6)7/h3-4,9,12H,5-8H2,1-2H3;(H,6,7)
InChIKeyVYFGXPJVUSTGGP-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 68631557) is N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid is CN(C)C1(c2cccs2)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VYFGXPJVUSTGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.C2HF3O2/c1-13(2)11(5-7-12-8-6-11)10-4-3-9-14-10;3-2(4,5)1(6)7/h3-4,9,12H,5-8H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 324.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-thiophen-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68631557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).