1-methyl-4-(4,4,4-trifluorobutoxy)piperidine

C10H18F3NO — CID 18722979

IUPAC1-methyl-4-(4,4,4-trifluorobutoxy)piperidine
SMILESCN1CCC(OCCCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-6-3-9(4-7-14)15-8-2-5-10(11,12)13/h9H,2-8H2,1H3
InChIKeyHSLIJFKQTOMJBN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds4

About 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine

1-methyl-4-(4,4,4-trifluorobutoxy)piperidine (PubChem CID 18722979) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine.

Molecular Properties

Compound Name1-methyl-4-(4,4,4-trifluorobutoxy)piperidine
PubChem CID18722979
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-methyl-4-(4,4,4-trifluorobutoxy)piperidine
SMILESCN1CCC(OCCCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-6-3-9(4-7-14)15-8-2-5-10(11,12)13/h9H,2-8H2,1H3
InChIKeyHSLIJFKQTOMJBN-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine 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 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine?
The IUPAC name of 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine (CID 18722979) is 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine.
What is the SMILES notation for 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine?
The canonical SMILES for 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine is CN1CCC(OCCCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine?
The InChIKey is HSLIJFKQTOMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-6-3-9(4-7-14)15-8-2-5-10(11,12)13/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine?
1-methyl-4-(4,4,4-trifluorobutoxy)piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4,4,4-trifluorobutoxy)piperidine is sourced from PubChem (CID 18722979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).