[4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine

C11H21F3N2O — CID 55257530

IUPAC[4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
SMILESCC1CCN(CCOCC(F)(F)F)C(CN)C1
InChIInChI=1S/C11H21F3N2O/c1-9-2-3-16(10(6-9)7-15)4-5-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNCDDBBLDSUQLPA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine

[4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine (PubChem CID 55257530) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
PubChem CID55257530
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
SMILESCC1CCN(CCOCC(F)(F)F)C(CN)C1
InChIInChI=1S/C11H21F3N2O/c1-9-2-3-16(10(6-9)7-15)4-5-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNCDDBBLDSUQLPA-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
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 [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine (CID 55257530) is [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine is CC1CCN(CCOCC(F)(F)F)C(CN)C1.
What is the InChIKey of [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
The InChIKey is NCDDBBLDSUQLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9-2-3-16(10(6-9)7-15)4-5-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine?
[4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 55257530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).