6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine

C11H21F3N2O — CID 54962139

IUPAC6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine
SMILESCC1CCC(N)CN1CCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9-3-4-10(15)7-16(9)5-2-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyRHFDKPFAVRKXQX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds5

About 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine

6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine (PubChem CID 54962139) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine.

Molecular Properties

Compound Name6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine
PubChem CID54962139
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine
SMILESCC1CCC(N)CN1CCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9-3-4-10(15)7-16(9)5-2-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyRHFDKPFAVRKXQX-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine?
The IUPAC name of 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine (CID 54962139) is 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine.
What is the SMILES notation for 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine?
The canonical SMILES for 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine is CC1CCC(N)CN1CCCOCC(F)(F)F.
What is the InChIKey of 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine?
The InChIKey is RHFDKPFAVRKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9-3-4-10(15)7-16(9)5-2-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine?
6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine has a molecular weight of 254.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-amine is sourced from PubChem (CID 54962139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).