3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine

C11H21F3N2O — CID 79868439

IUPAC3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCC1CN(CCCOCC(F)(F)F)CCC1N
InChIInChI=1S/C11H21F3N2O/c1-9-7-16(5-3-10(9)15)4-2-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyXACFZVPHNZTWHQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds5

About 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine

3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (PubChem CID 79868439) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
PubChem CID79868439
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCC1CN(CCCOCC(F)(F)F)CCC1N
InChIInChI=1S/C11H21F3N2O/c1-9-7-16(5-3-10(9)15)4-2-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyXACFZVPHNZTWHQ-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 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The IUPAC name of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (CID 79868439) is 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The canonical SMILES for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is CC1CN(CCCOCC(F)(F)F)CCC1N.
What is the InChIKey of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The InChIKey is XACFZVPHNZTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9-7-16(5-3-10(9)15)4-2-6-17-8-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine 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 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is sourced from PubChem (CID 79868439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).