1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane

C12H25F3N2 — CID 176942711

IUPAC1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane
SMILESCC.CNC(C1NCC(C)CC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N2.C2H6/c1-6-4-7(2)8(15-5-6)9(14-3)10(11,12)13;1-2/h6-9,14-15H,4-5H2,1-3H3;1-2H3
InChIKeyJIOFLNHWYKPQAX-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.80
Rot. Bonds2

About 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane

1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane (PubChem CID 176942711) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane
PubChem CID176942711
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Name1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane
SMILESCC.CNC(C1NCC(C)CC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N2.C2H6/c1-6-4-7(2)8(15-5-6)9(14-3)10(11,12)13;1-2/h6-9,14-15H,4-5H2,1-3H3;1-2H3
InChIKeyJIOFLNHWYKPQAX-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane?
The IUPAC name of 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane (CID 176942711) is 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane?
The canonical SMILES for 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane is CC.CNC(C1NCC(C)CC1C)C(F)(F)F.
What is the InChIKey of 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane?
The InChIKey is JIOFLNHWYKPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2.C2H6/c1-6-4-7(2)8(15-5-6)9(14-3)10(11,12)13;1-2/h6-9,14-15H,4-5H2,1-3H3;1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane?
1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane has a molecular weight of 254.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-2-yl)-2,2,2-trifluoro-N-methylethanamine;ethane is sourced from PubChem (CID 176942711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).