3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine

C17H27NOS — CID 11836237

IUPAC3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine
SMILESCC1CC(C)CN(CCOCCSc2ccccc2)C1
InChIInChI=1S/C17H27NOS/c1-15-12-16(2)14-18(13-15)8-9-19-10-11-20-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3
InChIKeyRHUQQLBVJSNVLJ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.77
Rot. Bonds7

About 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine

3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine (PubChem CID 11836237) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine
PubChem CID11836237
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine
SMILESCC1CC(C)CN(CCOCCSc2ccccc2)C1
InChIInChI=1S/C17H27NOS/c1-15-12-16(2)14-18(13-15)8-9-19-10-11-20-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3
InChIKeyRHUQQLBVJSNVLJ-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]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 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine (CID 11836237) is 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine is CC1CC(C)CN(CCOCCSc2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine?
The InChIKey is RHUQQLBVJSNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-15-12-16(2)14-18(13-15)8-9-19-10-11-20-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine?
3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine has a molecular weight of 293.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(2-phenylsulfanylethoxy)ethyl]piperidine is sourced from PubChem (CID 11836237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).