ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine

C9H19F3N2 — CID 176942450

IUPACethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine
SMILESCC.CC1CCC(C(F)(F)F)NC1N
InChIInChI=1S/C7H13F3N2.C2H6/c1-4-2-3-5(7(8,9)10)12-6(4)11;1-2/h4-6,12H,2-3,11H2,1H3;1-2H3
InChIKeyDPXISSPMMBUKIA-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.25
Rot. Bonds

About ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine

ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine (PubChem CID 176942450) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine.

Molecular Properties

Compound Nameethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine
PubChem CID176942450
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Nameethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine
SMILESCC.CC1CCC(C(F)(F)F)NC1N
InChIInChI=1S/C7H13F3N2.C2H6/c1-4-2-3-5(7(8,9)10)12-6(4)11;1-2/h4-6,12H,2-3,11H2,1H3;1-2H3
InChIKeyDPXISSPMMBUKIA-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine?
The IUPAC name of ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine (CID 176942450) is ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine.
What is the SMILES notation for ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine?
The canonical SMILES for ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine is CC.CC1CCC(C(F)(F)F)NC1N.
What is the InChIKey of ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine?
The InChIKey is DPXISSPMMBUKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.C2H6/c1-4-2-3-5(7(8,9)10)12-6(4)11;1-2/h4-6,12H,2-3,11H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine?
ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine has a molecular weight of 212.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine is sourced from PubChem (CID 176942450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).